 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer13_STD_B3LYPDBJ_def2SVPD.in
 Output=12_L-valine_conformer13_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-167660.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    167661.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer13_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:34:11 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer13_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.440615000000      0.153795000000     -0.669675000000
  C                                                 1.139680000000     -0.482678000000     -0.185187000000
  C                                                -0.064388000000      0.433960000000     -0.468576000000
  C                                                -1.393633000000     -0.311348000000     -0.237189000000
  O                                                -2.341078000000      0.435941000000      0.339139000000
  C                                                 1.225474000000     -0.882175000000      1.288520000000
  N                                                -0.086110000000      1.714563000000      0.252336000000
  O                                                -1.573078000000     -1.451319000000     -0.570526000000
  H                                                -0.064405000000      0.666302000000     -1.537552000000
  H                                                 0.955080000000     -1.389343000000     -0.764288000000
  H                                                -1.913463000000      1.308566000000      0.499915000000
  H                                                 0.364571000000      1.641581000000      1.156509000000
  H                                                 0.373024000000      2.450485000000     -0.265418000000
  H                                                 0.304091000000     -1.355802000000      1.629384000000
  H                                                 2.039602000000     -1.591968000000      1.440373000000
  H                                                 1.432706000000     -0.023887000000      1.934977000000
  H                                                 2.391139000000      0.402937000000     -1.732114000000
  H                                                 2.666906000000      1.070641000000     -0.118883000000
  H                                                 3.280277000000     -0.527749000000     -0.525512000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:34:12 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.527173   0.000000
     3  C    2.528631   1.539583   0.000000
     4  C    3.886497   2.539632   1.541401   0.000000
     5  O    4.895089   3.637919   2.415724   1.337253   0.000000
     6  C    2.526723   1.529304   2.546241   3.084372   3.919062
     7  N    3.109733   2.553792   1.469738   2.460400   2.593702
     8  O    4.323882   2.906167   2.416778   1.201186   2.231382
     9  H    2.700185   2.144497   1.093934   2.100855   2.959438
    10  H    2.144071   1.091548   2.109785   2.637491   3.926050
    11  H    4.653969   3.605496   2.263181   1.854095   0.984976
    12  H    3.139811   2.629338   2.069603   2.974493   3.072816
    13  H    3.116591   3.032762   2.073397   3.278658   3.433690
    14  H    3.482713   2.180189   2.782168   2.730796   3.445576
    15  H    2.767815   2.163985   3.489304   4.030050   4.951312
    16  H    2.798511   2.188938   2.868446   3.576189   4.123055
    17  H    1.092381   2.177946   2.761721   4.131525   5.165758
    18  H    1.093246   2.179361   2.826237   4.290905   5.068780
    19  H    1.091017   2.167950   3.480648   4.687792   5.768531
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.088200   0.000000
     8  O    3.407619   3.593186   0.000000
     9  H    3.471059   2.074373   2.774086   0.000000
    10  H    2.131749   3.428095   2.536330   2.421356   0.000000
    11  H    3.908218   1.888213   2.979710   2.825383   4.135875
    12  H    2.669817   1.012901   4.037718   2.897094   3.636573
    13  H    3.774655   1.010175   4.370867   2.234497   3.915602
    14  H    1.090622   3.387574   2.893526   3.775471   2.480842
    15  H    1.090720   4.106486   4.137022   4.288900   2.465314
    16  H    1.094308   2.856622   4.165314   3.843977   3.062455
    17  H    3.483463   3.434409   4.527976   2.477279   2.492232
    18  H    2.805708   2.851585   4.953961   3.104218   3.065684
    19  H    2.763792   4.118929   4.940654   3.692815   2.491164
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.394045   0.000000
    13  H    2.667909   1.635932   0.000000
    14  H    3.645834   3.035057   4.252393   0.000000
    15  H    4.992422   3.652690   4.693467   1.761675   0.000000
    16  H    3.877071   2.126196   3.476662   1.772331   1.752665
    17  H    4.932719   3.739700   3.227451   4.329965   3.764027
    18  H    4.628099   2.693203   2.680921   3.811425   3.148694
    19  H    5.603435   4.004563   4.170090   3.766554   2.556666
                   16         17         18         19
    16  H    0.000000
    17  H    3.814227   0.000000
    18  H    2.634309   1.767595   0.000000
    19  H    3.117916   1.764265   1.759665   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0457750           1.4734547           1.2560050
 Leave Link  202 at Thu Aug 12 20:34:12 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.5379247680 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0289868381 Hartrees.
 Nuclear repulsion after empirical dispersion term =      408.5089379299 Hartrees.
 Leave Link  301 at Thu Aug 12 20:34:12 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.77D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:34:13 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:34:13 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer13_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:34:13 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.138135695914    
 DIIS: error= 2.91D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.138135695914     IErMin= 1 ErrMin= 2.91D-03
 ErrMax= 2.91D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.66D-03 BMatP= 8.66D-03
 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.91D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.255 Goal=   None    Shift=    0.000
 GapD=    0.255 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.81D-03 MaxDP=1.62D-01              OVMax= 1.51D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.72D-03    CP:  1.05D+00
 E= -402.145692914023     Delta-E=       -0.007557218109 Rises=F Damp=F
 DIIS: error= 8.14D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.145692914023     IErMin= 2 ErrMin= 8.14D-04
 ErrMax= 8.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.05D-04 BMatP= 8.66D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.14D-03
 Coeff-Com:  0.542D-01 0.946D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.537D-01 0.946D+00
 Gap=     0.257 Goal=   None    Shift=    0.000
 RMSDP=3.25D-04 MaxDP=9.34D-03 DE=-7.56D-03 OVMax= 6.93D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.53D-04    CP:  1.05D+00  1.04D+00
 E= -402.145538742050     Delta-E=        0.000154171973 Rises=F Damp=F
 DIIS: error= 1.06D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.145692914023     IErMin= 2 ErrMin= 8.14D-04
 ErrMax= 1.06D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.62D-04 BMatP= 4.05D-04
 IDIUse=3 WtCom= 2.35D-01 WtEn= 7.65D-01
 Coeff-Com: -0.152D-01 0.567D+00 0.448D+00
 Coeff-En:   0.000D+00 0.587D+00 0.413D+00
 Coeff:     -0.358D-02 0.582D+00 0.422D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.13D-04 MaxDP=3.94D-03 DE= 1.54D-04 OVMax= 4.19D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.07D-05    CP:  1.05D+00  1.04D+00  6.57D-01
 E= -402.146014877598     Delta-E=       -0.000476135547 Rises=F Damp=F
 DIIS: error= 1.50D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.146014877598     IErMin= 4 ErrMin= 1.50D-04
 ErrMax= 1.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-05 BMatP= 4.05D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.50D-03
 Coeff-Com: -0.103D-01 0.289D+00 0.231D+00 0.491D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.102D-01 0.288D+00 0.230D+00 0.492D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=2.84D-05 MaxDP=1.51D-03 DE=-4.76D-04 OVMax= 7.62D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.67D-05    CP:  1.05D+00  1.04D+00  6.59D-01  9.70D-01
 E= -402.146025002830     Delta-E=       -0.000010125232 Rises=F Damp=F
 DIIS: error= 3.44D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.146025002830     IErMin= 5 ErrMin= 3.44D-05
 ErrMax= 3.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.53D-07 BMatP= 1.19D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.321D-02 0.714D-01 0.587D-01 0.227D+00 0.646D+00
 Coeff:     -0.321D-02 0.714D-01 0.587D-01 0.227D+00 0.646D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=7.33D-06 MaxDP=2.76D-04 DE=-1.01D-05 OVMax= 5.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.53D-06    CP:  1.05D+00  1.04D+00  6.63D-01  9.78D-01  9.14D-01
 E= -402.146025341399     Delta-E=       -0.000000338569 Rises=F Damp=F
 DIIS: error= 2.80D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.146025341399     IErMin= 6 ErrMin= 2.80D-05
 ErrMax= 2.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.79D-07 BMatP= 8.53D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.481D-03 0.808D-03 0.196D-02 0.740D-01 0.465D+00 0.459D+00
 Coeff:     -0.481D-03 0.808D-03 0.196D-02 0.740D-01 0.465D+00 0.459D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=3.37D-06 MaxDP=1.27D-04 DE=-3.39D-07 OVMax= 2.59D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.16D-06    CP:  1.05D+00  1.04D+00  6.65D-01  9.86D-01  9.21D-01
                    CP:  6.59D-01
 E= -402.146025706639     Delta-E=       -0.000000365240 Rises=F Damp=F
 DIIS: error= 3.00D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.146025706639     IErMin= 7 ErrMin= 3.00D-06
 ErrMax= 3.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.79D-09 BMatP= 4.79D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.645D-04-0.349D-02-0.220D-02 0.237D-01 0.199D+00 0.227D+00
 Coeff-Com:  0.556D+00
 Coeff:     -0.645D-04-0.349D-02-0.220D-02 0.237D-01 0.199D+00 0.227D+00
 Coeff:      0.556D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=9.21D-07 MaxDP=3.54D-05 DE=-3.65D-07 OVMax= 2.33D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.03D-07    CP:  1.05D+00  1.04D+00  6.66D-01  9.88D-01  9.34D-01
                    CP:  6.46D-01  8.30D-01
 E= -402.146025714737     Delta-E=       -0.000000008098 Rises=F Damp=F
 DIIS: error= 8.57D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.146025714737     IErMin= 8 ErrMin= 8.57D-07
 ErrMax= 8.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-10 BMatP= 9.79D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.762D-05-0.138D-02-0.990D-03 0.317D-02 0.438D-01 0.563D-01
 Coeff-Com:  0.268D+00 0.631D+00
 Coeff:      0.762D-05-0.138D-02-0.990D-03 0.317D-02 0.438D-01 0.563D-01
 Coeff:      0.268D+00 0.631D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=2.48D-07 MaxDP=1.58D-05 DE=-8.10D-09 OVMax= 7.17D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.04D-07    CP:  1.05D+00  1.04D+00  6.66D-01  9.88D-01  9.35D-01
                    CP:  6.45D-01  8.08D-01  8.39D-01
 E= -402.146025715485     Delta-E=       -0.000000000748 Rises=F Damp=F
 DIIS: error= 2.62D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.146025715485     IErMin= 9 ErrMin= 2.62D-07
 ErrMax= 2.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-11 BMatP= 8.65D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-04-0.401D-03-0.305D-03-0.653D-03 0.397D-02 0.649D-02
 Coeff-Com:  0.750D-01 0.276D+00 0.640D+00
 Coeff:      0.112D-04-0.401D-03-0.305D-03-0.653D-03 0.397D-02 0.649D-02
 Coeff:      0.750D-01 0.276D+00 0.640D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=9.97D-08 MaxDP=9.47D-06 DE=-7.48D-10 OVMax= 1.89D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.19D-08    CP:  1.05D+00  1.04D+00  6.66D-01  9.88D-01  9.35D-01
                    CP:  6.49D-01  8.33D-01  8.48D-01  7.36D-01
 E= -402.146025715527     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 9.17D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.146025715527     IErMin=10 ErrMin= 9.17D-08
 ErrMax= 9.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.62D-12 BMatP= 5.85D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.445D-05-0.828D-04-0.631D-04-0.584D-03-0.143D-02-0.142D-02
 Coeff-Com:  0.159D-01 0.837D-01 0.300D+00 0.604D+00
 Coeff:      0.445D-05-0.828D-04-0.631D-04-0.584D-03-0.143D-02-0.142D-02
 Coeff:      0.159D-01 0.837D-01 0.300D+00 0.604D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.74D-08 MaxDP=4.84D-07 DE=-4.24D-11 OVMax= 5.01D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.40D-08    CP:  1.05D+00  1.04D+00  6.66D-01  9.88D-01  9.35D-01
                    CP:  6.49D-01  8.33D-01  8.55D-01  7.44D-01  8.62D-01
 E= -402.146025715548     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 2.16D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.146025715548     IErMin=11 ErrMin= 2.16D-08
 ErrMax= 2.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.09D-13 BMatP= 5.62D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-05-0.396D-05-0.196D-05-0.209D-03-0.908D-03-0.117D-02
 Coeff-Com:  0.120D-02 0.141D-01 0.801D-01 0.273D+00 0.634D+00
 Coeff:      0.104D-05-0.396D-05-0.196D-05-0.209D-03-0.908D-03-0.117D-02
 Coeff:      0.120D-02 0.141D-01 0.801D-01 0.273D+00 0.634D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=6.18D-09 MaxDP=3.76D-07 DE=-2.11D-11 OVMax= 1.25D-07

 SCF Done:  E(RB3LYP) =  -402.146025716     A.U. after   11 cycles
            NFock= 11  Conv=0.62D-08     -V/T= 2.0104
 KE= 3.980007755341D+02 PE=-1.753643432429D+03 EE= 5.449876932490D+02
 Leave Link  502 at Thu Aug 12 20:34:50 2021, MaxMem=  5368709120 cpu:             293.8 elap:              36.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.33549734D+02

 Leave Link  801 at Thu Aug 12 20:34:50 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.75D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 3.05D-01 6.55D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 3.84D-02 3.11D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 2.30D-03 7.42D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 7.79D-05 1.88D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 1.75D-06 2.20D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 2.57D-08 2.15D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.81D-10 2.50D-06.
      9 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 2.79D-12 2.39D-07.
      4 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 1.76D-14 2.01D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   101 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.863715D+02
      2  0.134312D+00  0.802868D+02
      3 -0.204767D+01  0.143893D+01  0.704017D+02
 Isotropic polarizability for W=    0.088559       79.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.705995D+02 -0.800335D+01 -0.248028D+01
      2  -0.399083D+02  0.849948D+01 -0.433503D+00
      3  -0.306912D+02 -0.496124D+00  0.291379D+01
      4  -0.434079D+01  0.368396D+02 -0.215119D+02
      5   0.506763D+01 -0.234657D+02  0.732277D+02
      6  -0.929574D+01  0.710200D+01 -0.194523D+00
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.690139D+00 -0.223892D+00  0.127027D+01
      2   0.294675D+01 -0.828316D+01  0.332553D+02
      3   0.664965D+01 -0.157847D+02  0.885574D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.195377D+01  0.753551D+01 -0.301601D+00
      2  -0.754792D+01 -0.122162D+02  0.103919D+03
      3   0.366256D+01 -0.767479D+02  0.141700D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.202155D+00 -0.682265D+00 -0.155986D+01
      2  -0.682265D+00  0.171889D+01 -0.971282D+00
      3  -0.155986D+01 -0.971282D+00 -0.254019D+00
 OR G Eigenvalues:    -2.1441     1.2887     2.1181  Iso=    -0.4209
 Eigenvectors:
   (1)   0.659198   0.290788   0.693469
   (2)   0.751315  -0.216229  -0.623515
   (3)  -0.031362   0.932034  -0.361011
 w=    0.088559 a.u., Optical Rotation Beta=     -0.4209 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =     -182.19 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 7.84D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.37D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.02D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.56D-02 4.35D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 9.04D-04 6.23D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 7.85D-06 4.36D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 5.87D-08 3.84D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.31D-10 1.35D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 2.51D-13 4.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.04D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.04D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.66D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.863715D+02  0.134312D+00 -0.204767D+01
      2   0.134312D+00  0.802868D+02  0.143893D+01
      3  -0.204767D+01  0.143893D+01  0.704017D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.690139D+00 -0.223892D+00  0.127027D+01
      2   0.294675D+01 -0.828316D+01  0.332553D+02
      3   0.664965D+01 -0.157847D+02  0.885574D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.705995D+02 -0.800335D+01 -0.248028D+01
      2  -0.399083D+02  0.849948D+01 -0.433503D+00
      3  -0.306912D+02 -0.496124D+00  0.291379D+01
      4  -0.434079D+01  0.368396D+02 -0.215119D+02
      5   0.506763D+01 -0.234657D+02  0.732277D+02
      6  -0.929574D+01  0.710200D+01 -0.194523D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.143608D+01  0.395315D+01 -0.223147D+01  0.458022D+01 -0.307765D+01
      2   0.395315D+01 -0.248432D+01 -0.100971D+01 -0.307765D+01 -0.216401D+01
      3  -0.223147D+01 -0.100971D+01  0.624919D+00 -0.857409D+00 -0.206731D+01
                 6             7             8             9            10 
      1  -0.857409D+00 -0.252479D+01 -0.533157D+00 -0.401917D+00  0.247050D+01
      2  -0.206731D+01 -0.533157D+00 -0.208560D+01 -0.311099D+01 -0.343757D+01
      3  -0.274828D+01 -0.401917D+00 -0.311099D+01  0.643267D+01  0.264472D+01
                11            12            13            14            15 
      1  -0.343757D+01  0.264472D+01 -0.462305D+01  0.166285D+01  0.101372D+01
      2   0.191545D+01  0.115701D+01  0.166285D+01  0.265783D+01  0.243148D+01
      3   0.115701D+01 -0.223950D+00  0.101372D+01  0.243148D+01  0.327938D+01
                16            17            18            19            20 
      1   0.304034D+01  0.817735D+00 -0.674697D-01 -0.104589D+01  0.323945D+01
      2   0.817735D+00  0.212264D+01  0.374469D+01  0.323945D+01 -0.723296D+00
      3  -0.674697D-01  0.374469D+01 -0.381710D+01 -0.521993D+00 -0.198216D+00
                21            22            23            24            25 
      1  -0.521993D+00  0.407266D+01  0.137372D+00  0.209823D+00 -0.660652D+00
      2  -0.198216D+00  0.137372D+00 -0.202856D+01 -0.104247D+01  0.785531D+00
      3   0.457739D-01  0.209823D+00 -0.104247D+01 -0.124574D+01  0.180538D+00
                26            27            28            29            30 
      1   0.785531D+00  0.180538D+00 -0.159282D+01 -0.257599D+01 -0.439716D+00
      2  -0.826752D+00 -0.223003D+01 -0.257599D+01  0.416622D+00  0.786686D+00
      3  -0.223003D+01  0.580118D+01 -0.439716D+00  0.786686D+00 -0.102989D+00
                31            32            33            34            35 
      1  -0.143243D+00  0.208586D+01  0.111227D+01 -0.107223D+00  0.135487D+01
      2   0.208586D+01  0.583898D+01  0.170053D+01  0.135487D+01  0.222923D+01
      3   0.111227D+01  0.170053D+01  0.919998D+00  0.423636D+00  0.790636D+00
                36            37            38            39            40 
      1   0.423636D+00 -0.813103D+01  0.152112D+01  0.157277D+01 -0.232369D+01
      2   0.790636D+00  0.152112D+01 -0.213889D+01 -0.652149D+00 -0.389848D+01
      3  -0.183946D-01  0.157277D+01 -0.652149D+00 -0.115713D+01 -0.223950D+00
                41            42            43            44            45 
      1  -0.389848D+01 -0.223950D+00  0.143015D+01 -0.889315D+00 -0.207846D+01
      2  -0.188520D+01 -0.331801D+00 -0.889315D+00 -0.751284D+00  0.649637D+00
      3  -0.331801D+00 -0.981336D-01 -0.207846D+01  0.649637D+00  0.193508D+01
                46            47            48            49            50 
      1   0.219724D+00  0.497757D+01 -0.323192D+01  0.491136D+01 -0.215338D+01
      2   0.497757D+01 -0.236328D+01 -0.707181D+00 -0.215338D+01 -0.155599D+00
      3  -0.323192D+01 -0.707181D+00  0.403988D+00 -0.784997D+00 -0.310618D+01
                51            52            53            54            55 
      1  -0.784997D+00 -0.227905D+01 -0.817417D+00  0.287620D+00 -0.986416D+00
      2  -0.310618D+01 -0.817417D+00 -0.243224D+01 -0.311954D+01 -0.132835D+01
      3  -0.240763D+01  0.287620D+00 -0.311954D+01  0.224283D+01 -0.184086D+00
                56            57            58            59            60 
      1  -0.132835D+01 -0.184086D+00 -0.124790D+01 -0.311845D+01  0.239341D+00
      2  -0.331462D+01  0.265644D+00 -0.311845D+01  0.163192D+01  0.195696D+01
      3   0.265644D+00 -0.212808D+01  0.239341D+00  0.195696D+01  0.533732D-01
                61            62            63            64            65 
      1   0.180151D-01  0.480021D+00 -0.236307D+01 -0.160734D+01 -0.270437D+01
      2   0.480021D+00  0.223372D+01  0.249207D+00 -0.270437D+01 -0.197352D+01
      3  -0.236307D+01  0.249207D+00 -0.238488D+01 -0.100316D+01 -0.925872D+00
                66            67            68            69            70 
      1  -0.100316D+01 -0.440950D+01 -0.257273D+01 -0.734504D+00 -0.157370D+01
      2  -0.925872D+00 -0.257273D+01 -0.119911D+02 -0.233700D+01 -0.777137D+00
      3  -0.553214D+00 -0.734504D+00 -0.233700D+01 -0.274429D+01 -0.119530D+01
                71            72            73            74            75 
      1  -0.777137D+00 -0.119530D+01  0.351417D+00 -0.241796D+00 -0.110246D+01
      2  -0.193115D+01 -0.327794D+01 -0.241796D+00  0.115957D+00  0.584007D-01
      3  -0.327794D+01 -0.260214D+01 -0.110246D+01  0.584007D-01 -0.272661D-01
                76            77            78            79            80 
      1  -0.588667D+00 -0.588046D-01  0.181534D+00 -0.187642D+01 -0.672383D-01
      2  -0.588046D-01  0.148639D+01 -0.127884D+01 -0.672383D-01 -0.171773D+01
      3   0.181534D+00 -0.127884D+01  0.129727D+01 -0.228949D+00  0.187487D+01
                81            82            83            84            85 
      1  -0.228949D+00 -0.134941D+01 -0.425362D+00 -0.110798D+01 -0.104625D+01
      2   0.187487D+01 -0.425362D+00 -0.257773D+00 -0.872863D-01 -0.408315D+00
      3  -0.808278D+01 -0.110798D+01 -0.872863D-01 -0.222466D+00 -0.206045D+00
                86            87            88            89            90 
      1  -0.408315D+00 -0.206045D+00 -0.170626D+01 -0.226491D+00 -0.233216D-01
      2  -0.578635D+01 -0.236256D+01 -0.226491D+00 -0.240553D+01 -0.235202D+01
      3  -0.236256D+01 -0.269409D+01 -0.233216D-01 -0.235202D+01 -0.222976D+01
                91            92            93            94            95 
      1   0.115182D+01  0.202509D+01  0.827343D-01  0.505367D+01  0.439084D+00
      2   0.202509D+01  0.634344D+00  0.232937D+00  0.439084D+00  0.460679D+01
      3   0.827343D-01  0.232937D+00 -0.247740D+00 -0.437957D+00  0.106241D+01
                96            97            98            99           100 
      1  -0.437957D+00  0.799577D+00 -0.367573D-01 -0.793083D+00  0.538884D+00
      2   0.106241D+01 -0.367573D-01  0.940176D+00  0.714445D+00  0.434435D+00
      3   0.117334D+01 -0.793083D+00  0.714445D+00  0.925519D+00  0.113623D+01
               101           102           103           104           105 
      1   0.434435D+00  0.113623D+01  0.250457D+00  0.623575D+00  0.620785D-01
      2   0.113676D+01  0.338405D+00  0.623575D+00  0.309556D+00  0.827520D+00
      3   0.338405D+00  0.170139D+01  0.620785D-01  0.827520D+00  0.140441D+00
               106           107           108           109           110 
      1   0.226780D+01 -0.381650D-01  0.185620D+01  0.118017D+01  0.184653D+01
      2  -0.381650D-01  0.220891D+01  0.894316D+00  0.184653D+01  0.307968D+01
      3   0.185620D+01  0.894316D+00  0.502733D+01 -0.319800D+00 -0.500803D+00
               111           112           113           114           115 
      1  -0.319800D+00  0.255650D+01  0.262016D+01 -0.555085D+00 -0.119141D+01
      2  -0.500803D+00  0.262016D+01  0.656187D+01 -0.124526D+01 -0.102004D+01
      3   0.627784D+00 -0.555085D+00 -0.124526D+01  0.129008D+01  0.698610D+00
               116           117           118           119           120 
      1  -0.102004D+01  0.698610D+00 -0.473916D+01 -0.204824D+01  0.182605D+01
      2  -0.290317D+01  0.152171D+01 -0.204824D+01 -0.171873D+01  0.136027D+01
      3   0.152171D+01 -0.116559D+01  0.182605D+01  0.136027D+01 -0.270027D+01
               121           122           123           124           125 
      1  -0.220770D+01 -0.112045D+01  0.810511D+00  0.132918D+01  0.823601D+00
      2  -0.112045D+01 -0.213373D+01  0.156822D+01  0.823601D+00  0.113768D+01
      3   0.810511D+00  0.156822D+01 -0.120361D+01 -0.145432D+01 -0.766600D+00
               126           127           128           129           130 
      1  -0.145432D+01  0.470821D+01 -0.333742D+01  0.182405D+01 -0.319080D+01
      2  -0.766600D+00 -0.333742D+01  0.320363D+01 -0.116226D+01  0.286472D+01
      3   0.171461D+01  0.182405D+01 -0.116226D+01  0.175379D+01 -0.950920D+00
               131           132           133           134           135 
      1   0.286472D+01 -0.950920D+00  0.794935D+00 -0.548870D+00  0.106236D+01
      2  -0.410836D+01  0.179128D+01 -0.548870D+00  0.984182D+00 -0.752582D+00
      3   0.179128D+01 -0.124221D+01  0.106236D+01 -0.752582D+00  0.752295D+00
               136           137           138           139           140 
      1   0.811024D+00  0.211120D+00  0.120875D+01  0.890215D+00  0.495776D+00
      2   0.211120D+00  0.808011D+00  0.444545D+00  0.495776D+00  0.334480D+01
      3   0.120875D+01  0.444545D+00  0.991001D+00  0.793460D+00  0.191017D+01
               141           142           143           144           145 
      1   0.793460D+00  0.107780D+01  0.302671D+00  0.724818D+00  0.182093D+00
      2   0.191017D+01  0.302671D+00  0.196554D+01  0.188854D+01 -0.879603D-01
      3   0.348897D+01  0.724818D+00  0.188854D+01  0.396830D+01 -0.839728D+00
               146           147           148           149           150 
      1  -0.879603D-01 -0.839728D+00 -0.434459D-01  0.664897D+00 -0.264916D+00
      2   0.105027D+00  0.119025D+00  0.664897D+00  0.106716D+01 -0.122134D+01
      3   0.119025D+00 -0.510300D-01 -0.264916D+00 -0.122134D+01  0.171902D+01
               151           152           153           154           155 
      1  -0.201234D+01 -0.325514D+00  0.173742D+01  0.140908D+01  0.963268D+00
      2  -0.325514D+00 -0.144723D+01  0.200947D+01  0.963268D+00  0.136717D+01
      3   0.173742D+01  0.200947D+01 -0.906501D+01  0.717840D+00  0.436014D+00
               156           157           158           159           160 
      1   0.717840D+00  0.235598D+01  0.208392D+01  0.273486D+00  0.196998D+01
      2   0.436014D+00  0.208392D+01  0.512808D+01  0.145604D+01  0.816279D+00
      3   0.325555D+00  0.273486D+00  0.145604D+01  0.176878D+01  0.609666D+00
               161           162           163           164           165 
      1   0.816279D+00  0.609666D+00  0.786522D+01 -0.298467D+01 -0.308326D-01
      2   0.218427D+01  0.155108D+01 -0.298467D+01  0.219177D+01  0.445419D-01
      3   0.155108D+01  0.986977D+00 -0.308326D-01  0.445419D-01  0.939937D+00
               166           167           168           169           170 
      1  -0.484682D+01  0.273004D+01  0.319561D+00  0.120408D+01 -0.100602D+00
      2   0.273004D+01 -0.238048D+01  0.288150D+00 -0.100602D+00  0.494336D+00
      3   0.319561D+00  0.288150D+00 -0.746669D+00  0.102503D+01 -0.278904D+00
               171 
      1   0.102503D+01
      2  -0.278904D+00
      3  -0.421131D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.281072D+01  0.240075D+01  0.100436D+01  0.294103D+01  0.217686D+01
      2  -0.781093D+01  0.820118D+00  0.111237D+01  0.178314D+01 -0.870853D+01
      3  -0.114781D+02  0.621327D+01  0.291649D+01  0.132061D+02  0.742230D+01
                 6             7             8             9            10 
      1   0.422182D+00  0.194911D+01  0.433168D+01  0.327387D-01  0.338886D+01
      2  -0.883156D+01 -0.665617D+01 -0.968119D+01  0.183280D+02  0.783663D+01
      3   0.548659D+01  0.807827D+00  0.650933D+01  0.850561D+01  0.385944D+01
                11            12            13            14            15 
      1  -0.627227D+00 -0.684314D-01 -0.457046D+00  0.332581D+01 -0.253946D+01
      2  -0.978654D+00  0.400200D+01 -0.195924D+01  0.432083D+01  0.382760D+01
      3  -0.285824D+01 -0.167690D+01  0.372128D+01 -0.652291D+01 -0.525223D+01
                16            17            18            19            20 
      1   0.783138D-01  0.414179D+01 -0.253493D+01 -0.345002D+01  0.105275D+01
      2  -0.361229D+01  0.432458D+01 -0.347260D+01 -0.177960D+01  0.102569D+01
      3  -0.235100D+01 -0.427462D+01 -0.441934D+01  0.179995D+01 -0.439427D+01
                21            22            23            24            25 
      1  -0.114033D+01  0.529895D+00  0.118631D+01  0.110296D+01 -0.167523D+01
      2   0.101879D+01  0.520780D+01 -0.226251D+01  0.254790D+01 -0.344412D+01
      3   0.757536D+00  0.984952D+00 -0.299834D+01  0.147448D+01 -0.118509D+01
                26            27            28            29            30 
      1   0.556328D+01  0.540566D+00  0.130619D+01  0.100228D+01  0.419564D+00
      2   0.112014D+01 -0.240625D+01 -0.492488D+01  0.609640D+00 -0.484863D+01
      3   0.117318D+01  0.730334D+00 -0.801435D+01  0.391608D+00 -0.114044D+01
                31            32            33            34            35 
      1   0.273613D+01 -0.569553D+01  0.718235D+01  0.123015D+01  0.671102D+01
      2   0.641762D+01  0.253529D+00 -0.255062D+01 -0.178270D+02 -0.259636D+01
      3   0.336734D+00  0.128145D+02  0.142662D+00 -0.273960D+01 -0.614840D-01
                36            37            38            39            40 
      1   0.530113D+01 -0.160916D+01 -0.261520D+01  0.229698D+01 -0.190580D+01
      2   0.353754D+01  0.572026D+00  0.257667D+01  0.893850D+01  0.197453D+01
      3   0.955345D+00 -0.359108D+01 -0.152162D+02 -0.148046D+01 -0.122299D+02
                41            42            43            44            45 
      1  -0.209443D+01 -0.388175D+01  0.146104D+00  0.218762D+01 -0.149129D+01
      2   0.230720D+01  0.106090D+01  0.667092D+01  0.314633D+00 -0.539500D+01
      3  -0.127346D+02 -0.171678D+01 -0.588931D+00 -0.458942D+00  0.866946D+00
                46            47            48            49            50 
      1   0.490351D+01 -0.488674D+01 -0.623826D+00 -0.418136D+01 -0.362658D+01
      2  -0.570418D+01 -0.101024D+02  0.999922D+01 -0.833003D+01 -0.128044D+01
      3  -0.814848D+01 -0.435063D+01  0.521772D+01 -0.809195D+00  0.351615D+01
                51            52            53            54            55 
      1  -0.123776D+02 -0.121220D+01 -0.716701D+01 -0.210629D+01  0.846251D+00
      2  -0.283681D+01  0.264982D+01 -0.312714D+01  0.157230D+01  0.630314D+00
      3   0.534182D+01  0.402834D+01  0.505071D+01  0.398388D+01 -0.339445D+01
                56            57            58            59            60 
      1  -0.363307D+01  0.652157D+01 -0.385237D+01 -0.762155D+01 -0.458346D+01
      2   0.189753D+01  0.626922D+01 -0.530855D+00  0.405137D+00 -0.149125D+01
      3  -0.109318D+02 -0.199251D+01  0.133890D+01 -0.389172D+01  0.195225D+01
                61            62            63            64            65 
      1   0.702153D+01  0.462131D+01  0.536487D+01  0.235873D+00  0.109103D+01
      2  -0.176329D+01 -0.117040D+01  0.216353D+01  0.125841D+01  0.398634D+00
      3   0.506177D+00  0.404133D+01 -0.592290D+01 -0.963538D+00 -0.509428D+01
                66            67            68            69            70 
      1  -0.252817D+01  0.158890D+00  0.521331D+01 -0.104465D+02 -0.527350D+00
      2   0.508694D+01 -0.666407D+01  0.139280D+01  0.528991D+01  0.102070D+01
      3  -0.711562D+00  0.952489D+01 -0.201281D+02 -0.227519D+01  0.146333D+01
                71            72            73            74            75 
      1   0.208325D+01 -0.226617D+01  0.656580D+00 -0.502276D+00  0.873425D-01
      2   0.561414D+01  0.306073D+01  0.122798D+01 -0.126903D+00  0.506691D-01
      3  -0.229792D+01 -0.554294D+01  0.565605D+00 -0.334202D+00 -0.567914D+00
                76            77            78            79            80 
      1  -0.289327D+00 -0.183403D+01 -0.668828D+00  0.307202D+00  0.262547D+01
      2  -0.320958D+00  0.455870D+00 -0.313114D+00 -0.367198D+01  0.109967D-01
      3   0.147858D+01  0.398693D+00 -0.271239D+00 -0.971432D+00 -0.546065D+00
                81            82            83            84            85 
      1   0.203856D+01 -0.955110D+00  0.108904D+00 -0.239382D+00 -0.155797D+00
      2   0.907699D+00 -0.298188D+01 -0.273707D+00 -0.221899D+00 -0.174670D+01
      3  -0.172592D-01  0.299111D+01  0.609742D+00  0.120847D+01  0.479814D+01
                86            87            88            89            90 
      1   0.989229D+00 -0.321067D+01  0.448623D-01  0.603400D+00 -0.101257D+01
      2  -0.277901D+01 -0.317054D+01 -0.291579D+01 -0.265944D+01 -0.244141D+01
      3   0.784027D+01  0.351693D+01  0.265765D+01  0.340218D+01  0.316476D+01
                91            92            93            94            95 
      1   0.135729D+01  0.169635D+01  0.133627D+01  0.194302D+01  0.248217D+01
      2  -0.245812D+01 -0.219582D+01 -0.167338D+01 -0.255424D+01 -0.449685D+01
      3   0.617625D+01  0.879422D+01  0.893601D+00  0.131074D+02  0.179792D+02
                96            97            98            99           100 
      1  -0.449551D+00  0.141095D+01  0.166667D+01 -0.253177D+00 -0.321220D+01
      2  -0.378062D+01 -0.218477D+01 -0.257964D+01 -0.132517D+01 -0.192342D+01
      3   0.322892D+01  0.152050D+01  0.258408D+01  0.398493D+00  0.224149D+01
               101           102           103           104           105 
      1   0.123626D+01 -0.532540D+01  0.110727D+01 -0.239496D+01  0.369179D+00
      2   0.578958D-03 -0.102461D+01  0.305985D+00 -0.110545D+01  0.740520D+00
      3  -0.102961D+00  0.280529D+01  0.519446D+00  0.131842D+01 -0.314471D-02
               106           107           108           109           110 
      1  -0.605204D+01  0.140811D+01 -0.117421D+02  0.128975D+01  0.261192D+01
      2  -0.412860D+01  0.615009D+00 -0.232628D+01  0.392185D+00 -0.336585D+00
      3   0.589188D+01 -0.625378D+00  0.512232D+01  0.431186D+01  0.368120D+01
               111           112           113           114           115 
      1  -0.264829D+01  0.309051D+01  0.511795D+01 -0.427555D+01 -0.261935D+01
      2   0.202640D+00 -0.298325D+00 -0.320991D+00  0.562171D+00 -0.981608D+00
      3  -0.102408D+01  0.850590D+01  0.658746D+01 -0.200568D+01 -0.418956D+01
               116           117           118           119           120 
      1  -0.355392D+01  0.302336D+01 -0.171958D+01 -0.222580D+01 -0.172018D+01
      2   0.174881D+00 -0.221293D+00  0.120446D+02  0.472725D+01 -0.374649D+01
      3  -0.320149D+01  0.210364D+01  0.980790D+01  0.293457D+01 -0.317376D+01
               121           122           123           124           125 
      1  -0.132842D+01 -0.148749D+01  0.975280D-02 -0.485023D+00  0.218401D+01
      2   0.513412D+01  0.341408D+01 -0.190486D+01 -0.524929D+01 -0.216533D+01
      3   0.562647D+01  0.305969D+01 -0.260205D+01 -0.253771D+01 -0.156655D+01
               126           127           128           129           130 
      1   0.694692D+00 -0.313493D+01  0.437400D+01  0.155824D+01  0.328475D+01
      2   0.347979D+01 -0.482343D+01  0.316647D+01  0.221998D+01  0.430904D+01
      3   0.267955D+01 -0.126262D+01 -0.278112D+01  0.208255D-01  0.155577D+01
               131           132           133           134           135 
      1  -0.401727D+01 -0.570494D+00  0.135144D+00  0.188257D+01 -0.204439D+00
      2  -0.168723D+01 -0.124692D+01 -0.132450D+01  0.183129D+00 -0.210453D+00
      3   0.334792D+01 -0.157583D+01 -0.621302D+00 -0.111010D+01 -0.222706D+00
               136           137           138           139           140 
      1   0.163819D+01  0.193834D+01  0.142799D+01  0.927395D+00  0.110929D+02
      2   0.428832D+00  0.205188D+00  0.526548D+00 -0.164131D+01  0.258932D+01
      3  -0.439839D+00 -0.208999D+01 -0.162361D+01  0.653065D+00 -0.699167D+01
               141           142           143           144           145 
      1   0.492642D+01  0.131744D+01  0.802670D+01  0.655418D+01  0.172338D+00
      2   0.414165D+01 -0.227552D+01  0.203814D+01  0.435029D+01 -0.255115D+01
      3  -0.319970D+01 -0.794955D+00 -0.345661D+01 -0.340175D+01  0.263274D+00
               146           147           148           149           150 
      1   0.396997D-01 -0.102323D+00 -0.318212D+00 -0.134290D+01 -0.435183D+00
      2  -0.621940D-01  0.250358D+00 -0.671537D-02 -0.220515D+01  0.467819D+01
      3  -0.938229D+00 -0.286130D+00 -0.449988D+00 -0.289307D+01  0.280172D+01
               151           152           153           154           155 
      1  -0.875451D-01  0.356930D+01  0.810461D+00 -0.105875D+01 -0.133556D+01
      2  -0.909262D+00  0.510725D+01 -0.224642D+02  0.330060D+01  0.193272D+01
      3  -0.266330D+00  0.409218D+01 -0.526348D+01 -0.307221D+01 -0.435367D+01
               156           157           158           159           160 
      1  -0.996675D+00 -0.141952D+01 -0.404891D+01 -0.407130D+01 -0.901273D+00
      2   0.215185D+01  0.169313D+01  0.652821D+01  0.634706D+01  0.910996D+00
      3  -0.898202D+00 -0.223913D+01 -0.159378D+02 -0.492915D+01 -0.637437D+00
               161           162           163           164           165 
      1  -0.950632D+00 -0.227210D+01  0.215564D+01 -0.172640D+01  0.740675D+00
      2   0.509795D+01  0.392678D+01  0.624213D+01 -0.256422D+01  0.488694D+01
      3  -0.732772D+01 -0.445488D+01  0.827902D+01 -0.932266D+01  0.362966D-01
               166           167           168           169           170 
      1  -0.178714D+01  0.185904D+01 -0.170362D+01 -0.120259D-01  0.208992D+00
      2  -0.277292D+01  0.317917D+01 -0.306961D+01  0.250489D+01 -0.686490D+00
      3  -0.644253D+01  0.787871D+01 -0.113966D+01  0.764976D-02 -0.192610D+01
               171 
      1   0.241836D+00
      2  -0.387414D-01
      3   0.734369D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.113857D+02  0.240679D+02 -0.112191D+02  0.287008D+02 -0.162581D+02
      2   0.284295D+01 -0.133514D+02  0.516275D+01 -0.157195D+02  0.253089D+01
      3   0.854271D+01 -0.107165D+02  0.605636D+01 -0.129814D+02  0.137272D+02
      4   0.263604D+02 -0.141572D+02 -0.496988D+01 -0.208835D+02 -0.110669D+02
      5  -0.982509D+01 -0.792124D+01  0.404386D+01 -0.941433D+01 -0.949997D+01
      6  -0.459278D+01  0.188320D+01  0.128592D+00  0.169273D+01 -0.868034D+00
                 6             7             8             9            10 
      1  -0.813366D+01 -0.143290D+02 -0.579557D+01  0.112923D+02 -0.558072D+01
      2  -0.290056D+01  0.382234D+01 -0.479010D+01  0.774933D+01  0.126548D+01
      3   0.110342D+02  0.105067D+02  0.105857D+02 -0.190416D+02  0.431524D+01
      4  -0.111047D+02 -0.403227D+01 -0.128878D+02 -0.128258D+02 -0.114268D+02
      5  -0.130053D+02 -0.112321D+00 -0.137315D+02  0.272952D+02  0.106271D+02
      6  -0.580974D+00 -0.104718D+01 -0.505587D+00  0.583106D+01 -0.485334D+01
                11            12            13            14            15 
      1  -0.986657D+01  0.964057D+01 -0.135822D+02  0.105345D+02  0.693129D+01
      2   0.456174D+01 -0.670400D+01  0.714832D+01 -0.885528D+01 -0.101003D+02
      3   0.530484D+01 -0.293657D+01  0.643389D+01 -0.167922D+01  0.316905D+01
      4   0.477302D+01  0.161167D+01  0.102671D+02  0.586947D+01  0.559768D+01
      5   0.326994D+01 -0.790741D+00  0.631173D+01  0.624406D+01  0.746500D+01
      6   0.106956D+01 -0.862084D+00  0.902391D+00 -0.105538D+02 -0.357637D+01
                16            17            18            19            20 
      1   0.128496D+02  0.571553D+01  0.445091D+01 -0.700857D+01 -0.124083D+01
      2  -0.626263D+01 -0.421773D+01 -0.538907D+01  0.931001D+01  0.141860D+01
      3  -0.658698D+01 -0.149780D+01  0.938161D+00 -0.230144D+01 -0.177769D+00
      4   0.428898D+01  0.552362D+01  0.866783D+01 -0.598499D+00  0.368825D+01
      5  -0.314736D-01  0.859561D+01 -0.944775D+01 -0.240583D+01 -0.831521D-01
      6   0.633701D+00 -0.566177D+01  0.424062D+00  0.358279D+01 -0.230700D+01
                21            22            23            24            25 
      1  -0.287038D+00  0.719081D+01  0.335579D+01 -0.175110D+01 -0.468089D+01
      2   0.216800D+01 -0.293398D+01 -0.538458D+01 -0.283704D+01  0.308616D+01
      3  -0.188096D+01 -0.425683D+01  0.202879D+01  0.458813D+01  0.159474D+01
      4   0.112670D+01 -0.719764D+01  0.582908D+01  0.819519D+00 -0.426802D+01
      5   0.442460D+00 -0.261872D+01  0.316747D+00  0.313032D+01 -0.983787D+00
      6   0.104569D+01 -0.986328D+00  0.114635D+01 -0.536859D+01 -0.909414D+00
                26            27            28            29            30 
      1  -0.177424D+01  0.101591D+02 -0.721046D+01  0.123693D+02  0.271154D+01
      2  -0.805419D+01  0.835364D+01  0.853356D+00 -0.950566D+01 -0.649547D+01
      3   0.982843D+01 -0.185127D+02  0.635710D+01 -0.286366D+01  0.378393D+01
      4   0.628203D+00  0.157038D-01  0.736648D+01 -0.912452D+01 -0.348755D+01
      5  -0.148292D+01  0.892685D+00  0.395127D+01 -0.369231D+01 -0.779228D+01
      6  -0.305980D+01  0.947139D+01 -0.162642D+01 -0.223125D+01 -0.937071D+00
                31            32            33            34            35 
      1   0.128201D+01  0.729515D+01  0.301303D+01  0.381695D+01 -0.183840D+01
      2  -0.410190D+01 -0.169912D+02  0.485733D+01 -0.460120D+01 -0.216664D+01
      3   0.281989D+01  0.969606D+01 -0.787036D+01  0.784253D+00  0.400504D+01
      4  -0.200324D+02 -0.241581D+02 -0.571838D+01 -0.103817D+02 -0.251232D+01
      5  -0.100895D+02 -0.771931D+01 -0.528663D+01 -0.588195D+00 -0.377193D+01
      6  -0.360909D+01 -0.899200D+01 -0.112597D+02 -0.310874D+01  0.148038D+01
                36            37            38            39            40 
      1  -0.438485D+01  0.505768D+02 -0.766510D+01 -0.556678D+01  0.737418D+01
      2  -0.279631D+01 -0.300542D+02  0.134394D+01  0.662868D+01 -0.824210D+01
      3   0.718117D+01 -0.205227D+02  0.632115D+01 -0.106190D+01  0.867918D+00
      4  -0.454132D+01 -0.178213D+02  0.167939D+02  0.283336D+01  0.170597D+02
      5   0.422873D+01 -0.974149D+01  0.200490D+01  0.163697D+02  0.277280D+00
      6  -0.723458D+01 -0.675655D+00 -0.504173D+00 -0.304617D+01 -0.171005D+01
                41            42            43            44            45 
      1   0.122401D+02 -0.284908D+00 -0.330925D+01  0.305581D+01  0.643074D+01
      2  -0.542845D+01 -0.166005D+01  0.307858D+01 -0.203178D+01 -0.102362D+02
      3  -0.681168D+01  0.194496D+01  0.230675D+00 -0.102403D+01  0.380551D+01
      4  -0.658765D-01 -0.526730D+00  0.455637D+01 -0.820713D+00 -0.354591D+01
      5  -0.279559D+00 -0.614014D+00  0.156603D+02 -0.385283D+01 -0.119359D+02
      6  -0.102354D+01  0.644211D+01 -0.123074D+01  0.471470D+01  0.179987D+01
                46            47            48            49            50 
      1   0.793946D+01  0.146024D+02 -0.100202D+02  0.136452D+02 -0.292851D+01
      2  -0.908719D+01 -0.829076D+00  0.579846D+01  0.545653D-01  0.602939D+01
      3   0.114773D+01 -0.137733D+02  0.422178D+01 -0.136998D+02 -0.310088D+01
      4   0.124559D+02 -0.179728D+02  0.615097D+01 -0.184246D+02  0.423683D+01
      5  -0.686369D+01  0.100372D+02 -0.607383D+01  0.851679D+01 -0.132676D+02
      6   0.170651D+02 -0.552436D+01 -0.335144D+01 -0.593067D+01  0.228888D+01
                51            52            53            54            55 
      1   0.320899D+01 -0.824498D+01  0.204892D+01 -0.570397D+01  0.155330D+02
      2   0.127126D+02  0.445821D+01  0.935849D+01  0.204733D+01 -0.121162D+02
      3  -0.159215D+02  0.378677D+01 -0.114074D+02  0.365663D+01 -0.341677D+01
      4  -0.871587D+01  0.350325D+01 -0.585581D+01 -0.914640D+01 -0.217874D+01
      5  -0.101006D+02 -0.689433D+01 -0.105134D+02  0.551396D+01 -0.101129D+01
      6  -0.812533D+01 -0.339267D+01 -0.570390D+01 -0.105160D+02 -0.631478D+00
                56            57            58            59            60 
      1   0.919239D+01  0.342021D+00  0.564323D+01 -0.818906D+01 -0.617453D+01
      2  -0.163436D+02  0.358190D+01 -0.128172D+02  0.953068D+01  0.957559D+01
      3   0.715121D+01 -0.392392D+01  0.717396D+01 -0.134161D+01 -0.340106D+01
      4  -0.309118D+01 -0.130846D+01  0.204427D+01 -0.132121D+02  0.279831D+00
      5   0.256047D+00  0.239232D+01  0.896490D+00 -0.513177D+00 -0.239962D+01
      6   0.169639D+01 -0.875641D+01  0.180710D+01  0.125897D+02  0.546017D+01
                61            62            63            64            65 
      1  -0.247693D+01 -0.694123D+01  0.144297D+01  0.105585D+02  0.529085D+01
      2   0.685923D+01  0.136266D+02  0.329096D+00 -0.238264D+01  0.153432D+01
      3  -0.438231D+01 -0.668540D+01 -0.177207D+01 -0.817590D+01 -0.682517D+01
      4   0.425583D+00  0.122218D+01 -0.808441D+01  0.158966D+02  0.191474D+02
      5   0.294001D+01 -0.161784D+01 -0.387602D+01  0.680859D+01  0.579603D+01
      6  -0.860810D+01  0.870670D+00 -0.512541D+01  0.347996D+01  0.322495D+01
                66            67            68            69            70 
      1   0.114946D+01  0.908166D+01 -0.214993D+02 -0.629647D+01  0.319286D+01
      2  -0.970094D+00  0.152924D+01  0.401028D+02  0.173144D+01 -0.100011D+01
      3  -0.179365D+00 -0.106109D+02 -0.186034D+02  0.456503D+01 -0.219275D+01
      4   0.497326D+01  0.251242D+02  0.456914D+02  0.961464D+01  0.585232D+01
      5   0.954348D+01  0.707800D+01  0.114982D+02  0.114755D+02  0.104665D+02
      6   0.437987D+01  0.572116D+01  0.136110D+02  0.173848D+02  0.535704D+01
                71            72            73            74            75 
      1  -0.458850D+01 -0.588802D+01  0.851001D+00  0.616078D+00 -0.358343D+00
      2   0.259748D+01  0.291632D+00 -0.374788D+01 -0.587553D+00 -0.358966D+00
      3   0.199102D+01  0.559639D+01  0.289688D+01 -0.285245D-01  0.717308D+00
      4   0.688040D+01  0.126199D+02 -0.281564D+00  0.166505D+01 -0.188747D+01
      5   0.129304D+02  0.103713D+02  0.212903D+00 -0.130754D+01  0.544046D+01
      6   0.143025D+02  0.977306D+01 -0.212938D+01  0.875697D+00 -0.236366D-01
                76            77            78            79            80 
      1   0.230650D+00 -0.536673D+01  0.352922D+01  0.685951D+00  0.562710D+01
      2   0.295360D+00  0.174231D+01 -0.737366D+00  0.326674D+00  0.543585D+00
      3  -0.526010D+00  0.362442D+01 -0.279185D+01 -0.101262D+01 -0.617069D+01
      4   0.260735D+01 -0.100818D+01  0.462836D+00 -0.428649D+00  0.931842D+00
      5  -0.434765D+00  0.186314D-01 -0.468958D+00  0.530390D+01  0.204639D+00
      6   0.919408D+00 -0.423782D+01  0.860262D+01  0.344540D+00  0.771547D+01
                81            82            83            84            85 
      1  -0.189580D+02 -0.479671D+00 -0.131545D+01 -0.291874D+01 -0.302893D+01
      2  -0.131998D+02  0.242313D+01  0.115680D+01  0.213540D+01  0.233760D+01
      3   0.321578D+02 -0.194346D+01  0.158648D+00  0.783337D+00  0.691324D+00
      4  -0.484843D+00 -0.108492D+00  0.288244D+01  0.126517D+01  0.242938D+01
      5   0.104778D+01 -0.199589D+01  0.122845D+01  0.178522D+01  0.107861D+01
      6  -0.138444D+02  0.293158D+01  0.638261D+00  0.729923D+00  0.566221D+00
                86            87            88            89            90 
      1  -0.137645D+02 -0.520173D+01 -0.431140D+01 -0.638164D+01 -0.741872D+01
      2   0.181869D+02  0.702845D+01  0.238727D+01  0.452466D+01  0.247850D+01
      3  -0.442235D+01 -0.182672D+01  0.192413D+01  0.185698D+01  0.494022D+01
      4  -0.116709D+02 -0.474737D+01 -0.504103D-01 -0.510857D+01 -0.444307D+01
      5  -0.472311D+01 -0.640836D+01  0.261766D+01 -0.474309D+01 -0.408923D+01
      6   0.124253D+02  0.100094D+02  0.888733D+00  0.104678D+02  0.942163D+01
                91            92            93            94            95 
      1  -0.107775D+02 -0.455367D+01 -0.699875D-01 -0.180913D+02 -0.614196D+01
      2   0.999438D+01  0.166001D+01  0.153066D+00  0.105738D+02  0.907495D+01
      3   0.783076D+00  0.289367D+01 -0.830784D-01  0.751744D+01 -0.293299D+01
      4  -0.472179D+01  0.617236D+00  0.918035D-01  0.735802D+01 -0.169982D+02
      5   0.569887D+00  0.518927D+00 -0.138705D+01  0.310111D+01 -0.335129D+01
      6   0.987500D+00 -0.367892D+00 -0.190956D+01 -0.823113D+00  0.301849D+01
                96            97            98            99           100 
      1   0.833520D-02 -0.196432D+01 -0.143868D+01 -0.634623D+00 -0.963965D+00
      2   0.616276D+00  0.163943D+01  0.117342D+01 -0.460992D+00 -0.643850D-01
      3  -0.624611D+00  0.324895D+00  0.265256D+00  0.109561D+01  0.102835D+01
      4  -0.436975D+01  0.108982D+01 -0.333604D+01 -0.368076D+01  0.186390D+01
      5  -0.567738D+01  0.384189D+01 -0.310970D+01 -0.308261D+01  0.223706D+01
      6   0.206860D+01 -0.197876D+01  0.297369D+01  0.186782D+01  0.354255D+01
               101           102           103           104           105 
      1  -0.269617D+01 -0.165782D+01 -0.230171D+00 -0.199866D+01 -0.151843D+01
      2   0.408092D+01 -0.570178D+00  0.129230D+01  0.177641D+01  0.214113D+01
      3  -0.138475D+01  0.222800D+01 -0.106213D+01  0.222245D+00 -0.622700D+00
      4   0.372174D+01  0.327634D+01  0.300189D+01  0.155290D+01  0.179925D+01
      5   0.947995D+00  0.364577D+01  0.459823D+00  0.192024D+01  0.885315D+00
      6   0.289850D+01  0.642058D+01  0.217843D+01  0.167786D+01  0.351046D+01
               106           107           108           109           110 
      1  -0.164494D+01 -0.490436D+01 -0.809373D+01 -0.236975D+01 -0.735290D+01
      2  -0.229412D+01  0.539968D+01 -0.423669D+01  0.692884D+01  0.149501D+02
      3   0.393907D+01 -0.495322D+00  0.123304D+02 -0.455909D+01 -0.759725D+01
      4   0.579486D+01  0.251372D+01  0.517486D+01  0.518842D+01  0.994418D+01
      5   0.390227D+01  0.720963D+00  0.500165D+01 -0.140068D+01 -0.115618D+01
      6   0.569132D+01  0.631291D+01  0.164780D+02 -0.260072D+01 -0.373960D+01
               111           112           113           114           115 
      1   0.508505D+00 -0.605925D+01 -0.179831D+02  0.354121D+01  0.273136D+01
      2  -0.263578D+01  0.121253D+02  0.336842D+02 -0.707705D+01 -0.465850D+01
      3   0.212727D+01 -0.606606D+01 -0.157011D+02  0.353584D+01  0.192714D+01
      4  -0.190848D+01  0.972890D+01  0.113073D+02 -0.315337D+01 -0.330596D+01
      5   0.199259D+01  0.885680D-02 -0.145567D+01  0.838725D+00  0.183824D+01
      6   0.319024D+01 -0.379904D+01 -0.900981D+01  0.643053D+01  0.412865D+01
               116           117           118           119           120 
      1   0.806567D+01 -0.500322D+01 -0.987248D+01 -0.940996D+01  0.109952D+02
      2  -0.131098D+02  0.617295D+01  0.551354D+01  0.620686D+01 -0.129140D+01
      3   0.504413D+01 -0.116973D+01  0.435894D+01  0.320310D+01 -0.970379D+01
      4  -0.447746D+01  0.342835D+01  0.709407D+01  0.423436D+01 -0.248944D+01
      5   0.163027D+01 -0.101421D+01 -0.942378D+01 -0.402622D+01  0.313233D+01
      6   0.101969D+02 -0.631800D+01 -0.816297D+01 -0.797283D+01  0.869728D+01
               121           122           123           124           125 
      1  -0.818017D+01 -0.891558D+01  0.657045D+01  0.712897D+01  0.532625D+01
      2   0.554627D+01  0.790147D+01 -0.384642D+01 -0.650635D+00 -0.248008D+01
      3   0.263389D+01  0.101412D+01 -0.272403D+01 -0.647834D+01 -0.284617D+01
      4   0.580389D+01  0.848585D+00  0.240874D+00 -0.211355D+01 -0.567023D+00
      5  -0.469078D+01 -0.397896D+00  0.135657D+01  0.523879D+01  0.231635D+01
      6  -0.507840D+01 -0.881249D+01  0.835066D+01  0.598450D+01  0.698777D+01
               126           127           128           129           130 
      1  -0.842462D+01  0.166730D+02 -0.733692D+01  0.218875D+01 -0.706462D+01
      2  -0.649082D+00 -0.403971D+01 -0.282309D+01 -0.308061D+01 -0.308706D+01
      3   0.907370D+01 -0.126333D+02  0.101600D+02  0.891855D+00  0.101517D+02
      4   0.279853D+01 -0.230320D+02  0.204961D+02 -0.802667D+01  0.196060D+02
      5  -0.290595D+01  0.171468D+02 -0.119108D+02  0.119822D+02 -0.109910D+02
      6  -0.632747D+01 -0.110262D+02  0.108272D+02 -0.699375D+01  0.904600D+01
               131           132           133           134           135 
      1  -0.620985D+00  0.145455D+01  0.432159D+00  0.911775D+00  0.436480D+00
      2   0.106575D+02 -0.184282D+01 -0.215139D+01  0.354067D-01 -0.166534D+01
      3  -0.100365D+02  0.388279D+00  0.171923D+01 -0.947182D+00  0.122886D+01
      4  -0.218194D+02  0.789152D+01 -0.375505D+01  0.420543D+01 -0.533856D+01
      5   0.114107D+02 -0.674380D+01  0.856525D+01 -0.516499D+01  0.568415D+01
      6  -0.135306D+02  0.972398D+01 -0.514634D+01  0.749257D+01 -0.439328D+01
               136           137           138           139           140 
      1   0.145440D+01  0.831428D+00  0.250090D+01  0.230535D+01 -0.222430D+01
      2  -0.316259D+01 -0.281292D+01 -0.458668D+01 -0.441676D+01 -0.376601D+01
      3   0.170819D+01  0.198150D+01  0.208578D+01  0.211141D+01  0.599031D+01
      4   0.115448D+01  0.522339D+01  0.793695D+00  0.431082D+01  0.807909D+01
      5   0.607235D+01  0.260672D+01  0.842301D+01  0.569461D+01  0.773201D+01
      6   0.384083D+00  0.299217D+01  0.144872D+01  0.219999D+01  0.114067D+02
               141           142           143           144           145 
      1  -0.521902D+01  0.184283D+01 -0.304078D+01 -0.756319D+01  0.146169D+01
      2  -0.997263D+01 -0.421308D+01 -0.676127D+01 -0.129037D+02 -0.317824D+01
      3   0.151917D+02  0.237025D+01  0.980206D+01  0.204669D+02  0.171655D+01
      4   0.574895D+01  0.310651D+00  0.505613D+01  0.517518D+01 -0.718080D+00
      5   0.121173D+02  0.739161D+01  0.647804D+01  0.132070D+02 -0.405580D+01
      6   0.755863D+01  0.135401D+01  0.880212D+01  0.655967D+01 -0.763411D+00
               146           147           148           149           150 
      1  -0.586590D+00 -0.555359D+01 -0.839119D+00 -0.677201D+00  0.280251D+01
      2   0.331831D+00  0.266440D+01  0.160070D-01 -0.764511D+00  0.167951D+01
      3   0.254760D+00  0.288920D+01  0.823112D+00  0.144171D+01 -0.448202D+01
      4   0.236815D+01 -0.105179D+01  0.520207D+01  0.519284D+01 -0.559317D+01
      5  -0.794956D+00  0.615446D+01 -0.202048D+01 -0.535693D+01  0.884327D+01
      6  -0.785735D-01  0.291112D+00 -0.147497D+01 -0.348751D+01  0.798762D+01
               151           152           153           154           155 
      1  -0.833061D+01  0.298006D+01 -0.129574D+02  0.994591D+01  0.491882D+01
      2   0.840322D+01  0.184039D+01 -0.190596D+02 -0.206899D+01  0.787689D-01
      3  -0.726109D-01 -0.482045D+01  0.320170D+02 -0.787692D+01 -0.499759D+01
      4  -0.282443D+01 -0.681499D+01  0.850134D+01  0.637463D+01  0.118685D+02
      5   0.146810D+02  0.926028D+01 -0.431846D+02  0.333549D+01  0.307548D+01
      6   0.998420D+00  0.743903D+01 -0.813328D+01  0.119126D+01 -0.411439D+00
               156           157           158           159           160 
      1   0.405463D+01  0.105319D+02  0.548148D+01  0.156115D+01  0.104552D+02
      2  -0.104670D+01 -0.201689D+01  0.947119D+01  0.354852D+01 -0.425841D+01
      3  -0.300794D+01 -0.851499D+01 -0.149527D+02 -0.510967D+01 -0.619676D+01
      4   0.399625D+01  0.167688D+02  0.292818D+02  0.812104D+01  0.676977D+01
      5   0.299945D+01  0.181991D+01  0.782564D+01  0.102426D+02  0.442168D+01
      6   0.519817D+00 -0.256982D+00  0.548540D+00  0.348754D+01  0.158185D+01
               161           162           163           164           165 
      1   0.293915D+01 -0.370463D-01  0.558170D+02 -0.196859D+02  0.829856D+00
      2   0.278898D+01 -0.179498D+00 -0.268107D+02  0.883982D+01  0.812321D+00
      3  -0.572813D+01  0.216544D+00 -0.290062D+02  0.108461D+02 -0.164218D+01
      4   0.122091D+02  0.832604D+01 -0.227334D+02  0.172087D+02  0.449426D+00
      5   0.869979D+01  0.616302D+01 -0.628558D+01  0.258960D+01  0.809837D+01
      6   0.334936D+01  0.224666D+01  0.389753D+01 -0.296883D+01 -0.971695D+00
               166           167           168           169           170 
      1  -0.289996D+02  0.141365D+02  0.999855D+00  0.752162D+01 -0.926126D+00
      2   0.125956D+02 -0.244956D+01 -0.997965D+00 -0.260592D+01  0.763571D+00
      3   0.164040D+02 -0.116870D+02 -0.189078D-02 -0.491570D+01  0.162555D+00
      4   0.215973D+02 -0.177554D+02  0.130550D+01 -0.143159D+01  0.321011D+01
      5   0.501637D+01 -0.401731D+00 -0.564984D+01  0.811254D+01 -0.271377D+01
      6  -0.341245D+01  0.324174D+01  0.229563D+01 -0.140651D+01  0.211187D+01
               171 
      1   0.392036D+01
      2  -0.358052D+01
      3  -0.339847D+00
      4  -0.261661D+01
      5  -0.191692D+01
      6  -0.541779D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:41:11 2021, MaxMem=  5368709120 cpu:            3039.7 elap:             381.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17853 -19.12463 -14.35548 -10.31440 -10.24479
 Alpha  occ. eigenvalues --  -10.20609 -10.19186 -10.18973  -1.09284  -1.01141
 Alpha  occ. eigenvalues --   -0.91914  -0.80630  -0.71235  -0.69835  -0.60646
 Alpha  occ. eigenvalues --   -0.58524  -0.55207  -0.52118  -0.48870  -0.46629
 Alpha  occ. eigenvalues --   -0.46146  -0.44144  -0.42341  -0.41854  -0.40218
 Alpha  occ. eigenvalues --   -0.38183  -0.36019  -0.35427  -0.35132  -0.32111
 Alpha  occ. eigenvalues --   -0.30930  -0.26728
 Alpha virt. eigenvalues --   -0.01457   0.00560   0.02895   0.03500   0.03638
 Alpha virt. eigenvalues --    0.06133   0.06798   0.07388   0.08241   0.08956
 Alpha virt. eigenvalues --    0.10671   0.11085   0.12205   0.12417   0.12891
 Alpha virt. eigenvalues --    0.13948   0.14182   0.15248   0.16034   0.16514
 Alpha virt. eigenvalues --    0.17212   0.17731   0.18779   0.19313   0.20277
 Alpha virt. eigenvalues --    0.20430   0.21608   0.22319   0.23623   0.24936
 Alpha virt. eigenvalues --    0.25730   0.26491   0.27733   0.28131   0.28771
 Alpha virt. eigenvalues --    0.29238   0.30444   0.30737   0.31036   0.31622
 Alpha virt. eigenvalues --    0.32101   0.33211   0.33805   0.34872   0.35220
 Alpha virt. eigenvalues --    0.35481   0.35714   0.37102   0.37363   0.38131
 Alpha virt. eigenvalues --    0.38309   0.38974   0.39236   0.40474   0.40854
 Alpha virt. eigenvalues --    0.41409   0.43337   0.44323   0.44449   0.45032
 Alpha virt. eigenvalues --    0.46010   0.46312   0.47746   0.47800   0.48151
 Alpha virt. eigenvalues --    0.48845   0.49916   0.50411   0.50855   0.51153
 Alpha virt. eigenvalues --    0.51387   0.52039   0.52295   0.53726   0.54461
 Alpha virt. eigenvalues --    0.55474   0.56453   0.56919   0.58035   0.58359
 Alpha virt. eigenvalues --    0.58772   0.59555   0.61185   0.62012   0.63044
 Alpha virt. eigenvalues --    0.63349   0.63633   0.65297   0.65724   0.66864
 Alpha virt. eigenvalues --    0.69085   0.69592   0.69839   0.71277   0.72610
 Alpha virt. eigenvalues --    0.73467   0.75635   0.77431   0.77923   0.79087
 Alpha virt. eigenvalues --    0.80176   0.81283   0.82588   0.84297   0.85361
 Alpha virt. eigenvalues --    0.87324   0.88973   0.90823   0.92682   0.94712
 Alpha virt. eigenvalues --    0.95254   0.97975   0.99883   1.00393   1.02207
 Alpha virt. eigenvalues --    1.02632   1.03920   1.04140   1.05856   1.08798
 Alpha virt. eigenvalues --    1.11423   1.13624   1.15114   1.16402   1.17562
 Alpha virt. eigenvalues --    1.20507   1.21905   1.24005   1.26145   1.27447
 Alpha virt. eigenvalues --    1.28347   1.32950   1.33847   1.38531   1.39847
 Alpha virt. eigenvalues --    1.43256   1.44175   1.47267   1.51007   1.51279
 Alpha virt. eigenvalues --    1.55235   1.56530   1.59925   1.60959   1.62870
 Alpha virt. eigenvalues --    1.65587   1.67961   1.70325   1.73013   1.73515
 Alpha virt. eigenvalues --    1.74546   1.77820   1.79113   1.81580   1.82616
 Alpha virt. eigenvalues --    1.83677   1.84640   1.86602   1.87099   1.89883
 Alpha virt. eigenvalues --    1.90610   1.94504   1.95134   1.96707   1.98094
 Alpha virt. eigenvalues --    2.00501   2.00910   2.02642   2.05099   2.05600
 Alpha virt. eigenvalues --    2.06774   2.10213   2.12835   2.14536   2.15409
 Alpha virt. eigenvalues --    2.16393   2.16842   2.20601   2.21448   2.23796
 Alpha virt. eigenvalues --    2.26948   2.32054   2.32727   2.34996   2.39334
 Alpha virt. eigenvalues --    2.40871   2.42904   2.44404   2.45375   2.46167
 Alpha virt. eigenvalues --    2.51393   2.56728   2.60012   2.60072   2.63386
 Alpha virt. eigenvalues --    2.65722   2.66664   2.68407   2.77023   2.86008
 Alpha virt. eigenvalues --    2.88366   2.90407   2.92316   2.95920   2.99376
 Alpha virt. eigenvalues --    2.99699   3.03873   3.05799   3.07918   3.10470
 Alpha virt. eigenvalues --    3.11825   3.16708   3.16973   3.20767   3.22895
 Alpha virt. eigenvalues --    3.28253   3.40126   3.47034   3.57152   3.63383
 Alpha virt. eigenvalues --    3.83399   3.95530
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.243063   0.238376  -0.023154   0.055940  -0.003670  -0.054486
     2  C    0.238376   5.883335   0.226394  -0.232171   0.027490   0.363742
     3  C   -0.023154   0.226394   5.914522  -0.493955   0.078631   0.037960
     4  C    0.055940  -0.232171  -0.493955   6.307759  -0.209616  -0.047426
     5  O   -0.003670   0.027490   0.078631  -0.209616   8.223582   0.011280
     6  C   -0.054486   0.363742   0.037960  -0.047426   0.011280   4.104218
     7  N    0.008421   0.034514  -0.258050  -0.052918  -0.028098  -0.046351
     8  O    0.003897  -0.010446   0.095534  -0.003467   0.096581   0.001760
     9  H   -0.116871   0.060834   0.080413  -0.169116   0.017301   0.046424
    10  H   -0.110451   0.361749  -0.082059  -0.080028   0.004966  -0.041273
    11  H    0.000781  -0.007076  -0.039636   0.161343   0.178103   0.000227
    12  H   -0.003024  -0.052687   0.101991   0.019987  -0.012373  -0.002176
    13  H    0.018184  -0.038686   0.180065   0.030496   0.006843  -0.001061
    14  H    0.011072   0.073005  -0.084683   0.031319  -0.001324   0.279295
    15  H   -0.005415   0.154597   0.025481   0.026217  -0.002672   0.075991
    16  H   -0.004895   0.167402  -0.050188  -0.001515  -0.008852   0.113840
    17  H    0.368175  -0.039010  -0.035064   0.017520  -0.001495   0.008771
    18  H    0.020016   0.229519  -0.005513  -0.018005   0.003483  -0.012610
    19  H    0.043400   0.230557   0.030275  -0.002545   0.000254  -0.010642
               7          8          9         10         11         12
     1  C    0.008421   0.003897  -0.116871  -0.110451   0.000781  -0.003024
     2  C    0.034514  -0.010446   0.060834   0.361749  -0.007076  -0.052687
     3  C   -0.258050   0.095534   0.080413  -0.082059  -0.039636   0.101991
     4  C   -0.052918  -0.003467  -0.169116  -0.080028   0.161343   0.019987
     5  O   -0.028098   0.096581   0.017301   0.004966   0.178103  -0.012373
     6  C   -0.046351   0.001760   0.046424  -0.041273   0.000227  -0.002176
     7  N    7.634264  -0.003446  -0.015739   0.020371  -0.033170  -0.012534
     8  O   -0.003446   8.412073   0.008448  -0.027524  -0.031041  -0.003262
     9  H   -0.015739   0.008448   1.375103   0.026030  -0.001315   0.020178
    10  H    0.020371  -0.027524   0.026030   1.234084  -0.000686  -0.006779
    11  H   -0.033170  -0.031041  -0.001315  -0.000686   0.527577  -0.018067
    12  H   -0.012534  -0.003262   0.020178  -0.006779  -0.018067   1.027119
    13  H    0.019548  -0.000769  -0.086779  -0.003068  -0.005481  -0.166714
    14  H   -0.005138   0.000895   0.005286  -0.016822   0.001268  -0.012368
    15  H    0.003913  -0.005024  -0.007495   0.016611  -0.000004   0.000273
    16  H    0.018751   0.005987   0.001221  -0.005686   0.001636   0.046626
    17  H    0.007090   0.001148  -0.038820  -0.022161   0.000419   0.001836
    18  H   -0.014273   0.000533   0.005795   0.011881  -0.001577   0.000162
    19  H    0.000404  -0.001282   0.011062   0.025864  -0.000022  -0.000147
              13         14         15         16         17         18
     1  C    0.018184   0.011072  -0.005415  -0.004895   0.368175   0.020016
     2  C   -0.038686   0.073005   0.154597   0.167402  -0.039010   0.229519
     3  C    0.180065  -0.084683   0.025481  -0.050188  -0.035064  -0.005513
     4  C    0.030496   0.031319   0.026217  -0.001515   0.017520  -0.018005
     5  O    0.006843  -0.001324  -0.002672  -0.008852  -0.001495   0.003483
     6  C   -0.001061   0.279295   0.075991   0.113840   0.008771  -0.012610
     7  N    0.019548  -0.005138   0.003913   0.018751   0.007090  -0.014273
     8  O   -0.000769   0.000895  -0.005024   0.005987   0.001148   0.000533
     9  H   -0.086779   0.005286  -0.007495   0.001221  -0.038820   0.005795
    10  H   -0.003068  -0.016822   0.016611  -0.005686  -0.022161   0.011881
    11  H   -0.005481   0.001268  -0.000004   0.001636   0.000419  -0.001577
    12  H   -0.166714  -0.012368   0.000273   0.046626   0.001836   0.000162
    13  H    0.960855   0.001590   0.000724  -0.008747   0.002276   0.002337
    14  H    0.001590   0.870274  -0.083491  -0.000282  -0.003030  -0.002870
    15  H    0.000724  -0.083491   0.967660  -0.064150   0.010909  -0.028130
    16  H   -0.008747  -0.000282  -0.064150   0.885195  -0.004006   0.027701
    17  H    0.002276  -0.003030   0.010909  -0.004006   0.962770  -0.133456
    18  H    0.002337  -0.002870  -0.028130   0.027701  -0.133456   0.941140
    19  H   -0.000962   0.001029   0.022602  -0.022637  -0.073683  -0.000201
              19
     1  C    0.043400
     2  C    0.230557
     3  C    0.030275
     4  C   -0.002545
     5  O    0.000254
     6  C   -0.010642
     7  N    0.000404
     8  O   -0.001282
     9  H    0.011062
    10  H    0.025864
    11  H   -0.000022
    12  H   -0.000147
    13  H   -0.000962
    14  H    0.001029
    15  H    0.022602
    16  H   -0.022637
    17  H   -0.073683
    18  H   -0.000201
    19  H    0.894957
 Mulliken charges:
               1
     1  C    1.310640
     2  C   -1.671437
     3  C    0.301038
     4  C    0.660182
     5  O   -0.380414
     6  C    1.172519
     7  N   -0.277558
     8  O   -0.540595
     9  H   -0.221960
    10  H   -0.305019
    11  H    0.266722
    12  H    0.071960
    13  H    0.089349
    14  H   -0.065024
    15  H   -0.108598
    16  H   -0.097402
    17  H   -0.030190
    18  H   -0.025934
    19  H   -0.148281
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.106236
     2  C   -1.976456
     3  C    0.079078
     4  C    0.660182
     5  O   -0.113693
     6  C    0.901496
     7  N   -0.116249
     8  O   -0.540595
 Electronic spatial extent (au):  <R**2>=           1056.6056
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.0419    Y=              3.4768    Z=              0.4123  Tot=              5.3475
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.1099   YY=            -50.6186   ZZ=            -48.5752
   XY=             -3.8547   XZ=             -0.3544   YZ=             -1.7259
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.6753   YY=              1.8159   ZZ=              3.8594
   XY=             -3.8547   XZ=             -0.3544   YZ=             -1.7259
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.3542  YYY=             16.4547  ZZZ=             -1.3037  XYY=              6.3162
  XXY=              6.1316  XXZ=              0.6542  XZZ=             -3.3243  YZZ=              4.7812
  YYZ=              3.1941  XYZ=              2.8293
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -875.5454 YYYY=           -335.5166 ZZZZ=           -215.7802 XXXY=            -20.5130
 XXXZ=              3.5675 YYYX=             -3.8967 YYYZ=             -3.6743 ZZZX=             -1.2609
 ZZZY=              5.5212 XXYY=           -196.7739 XXZZ=           -175.3298 YYZZ=            -90.8934
 XXYZ=             -0.5251 YYXZ=             -4.9082 ZZXY=              0.2675
 N-N= 4.085089379299D+02 E-N=-1.753643435976D+03  KE= 3.980007755341D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:41:12 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54786413D+00 1.36513306D+00 1.64282711D-01
 Polarizability= 8.07011080D+01-4.57700373D-03 7.52912426D+01
                -1.85131322D+00 1.27549900D+00 6.61927954D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.0239    1.0238        0.0688    0.0672
 2     -1.0239   -1.0238       -0.7200   -0.7195       -3.0433   -3.0424
 3     -0.0688   -0.0672        7.9859    7.9849        0.7193    0.7195
 4      0.7200    0.7195        0.0000    0.0000       -0.0651   -0.0672
 5     -4.9426   -4.9425        0.0651    0.0672        1.0253    1.0238
 6     -0.7193   -0.7195       -1.0253   -1.0238       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.0715   -3.0715        0.2015    0.2015
 2      2.1584    2.1584       -0.0000    0.0000        0.2015    0.2015
 3      2.1584    2.1584       -3.0715   -3.0715        0.0000    0.0000
 4     -3.0715   -3.0715       -2.1584   -2.1584       -9.1271   -9.1271
 5     -0.2015   -0.2015       23.9547   23.9547        2.1584    2.1584
 6    -14.8275  -14.8275        0.2015    0.2015        3.0715    3.0715
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0179    0.0000       -4.1150   -4.0953       -0.2389   -0.2686
 2      4.0830    4.0953        2.8764    2.8779       12.0815   12.1695
 3      0.2914    0.2686      -31.8903  -31.9396       -2.9140   -2.8779
 4     -2.8955   -2.8779       -0.0168    0.0000        0.3225    0.2686
 5     19.7822   19.7701       -0.2341   -0.2686       -4.0364   -4.0953
 6      2.8688    2.8779        4.0981    4.0953        0.0054    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0086    0.0000        7.8643    7.9199       -2.7702   -2.7229
 2     -7.8740   -7.9199       17.4831   17.4706       17.9313   17.9466
 3      2.6987    2.7229       16.3476   16.3312      -17.5395  -17.4706
 4    -17.5205  -17.4706       -0.0488    0.0000        2.7062    2.7229
 5    -34.3150  -34.2778       -2.7899   -2.7229        7.7756    7.9199
 6     17.4739   17.4706       -7.8586   -7.9199        0.0603    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.2010   -9.2171        4.2049    4.1463       -2.0067   -2.0344
 2    -36.4032  -36.3881        7.4763    7.5072       -2.0802   -2.0344
 3    -36.4271  -36.3881        4.1394    4.1463       -2.0646   -2.0468
 4     -3.2981   -3.3610       27.2160   27.1710       20.5045   20.5248
 5     -0.0466   -0.0124       32.2168   32.2475      -27.1202  -27.1710
 6    -52.8483  -52.7723       -0.1296    0.0124        3.1063    3.3610
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.6347   -7.7866   -0.0011    0.0003    0.0004    3.9761
 Low frequencies ---   56.7213   83.2177  184.4170
 Diagonal vibrational polarizability:
       22.1512913      14.3772525      19.8281115
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     56.6886                83.2172               184.4165
 Red. masses --      4.8505                 2.7862                 3.4542
 Frc consts  --      0.0092                 0.0114                 0.0692
 IR Inten    --      0.6144                 3.1886                 7.5720
 RamAct Fr= 1--      0.8681                 0.5592                 0.4932
  Dep-P Fr= 1--      0.7477                 0.7266                 0.6583
  Dep-U Fr= 1--      0.8557                 0.8417                 0.7940
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0008
 Beta2  Fr= 1--      0.1238                 0.0784                 0.0653
 AlphaG Fr= 1--     -0.0004                -0.0010                 0.0022
 Gamma2 Fr= 1--      0.2226                 0.2635                 0.2803
 Delta2 Fr= 1--      0.1029                 0.1771                 0.0394
 Raman1 Fr= 1--       3.472                  2.237                  1.973
 ROA1   Fr= 1--      24.664                 30.961                 28.172
 CID1   Fr= 1--       7.103                 13.841                 14.281
 Raman2 Fr= 1--       1.486                  0.941                  0.783
 ROA2   Fr= 1--       4.519                  4.907                  6.413
 CID2   Fr= 1--       3.042                  5.213                  8.189
 Raman3 Fr= 1--       2.971                  1.883                  1.566
 ROA3   Fr= 1--      24.664                 30.961                 28.172
 CID3   Fr= 1--       8.301                 16.445                 17.987
 RC180  Fr= 1--       0.711                  0.683                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06   0.05    -0.03  -0.14  -0.15     0.03  -0.15  -0.03
     2   6    -0.02   0.00   0.04    -0.01  -0.01   0.06    -0.07   0.05  -0.07
     3   6    -0.00  -0.00  -0.07     0.00   0.02   0.07    -0.01   0.14  -0.04
     4   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04     0.07   0.02   0.01
     5   8     0.13  -0.13   0.31    -0.05  -0.02  -0.07     0.00  -0.09   0.03
     6   6    -0.10   0.12   0.08     0.12   0.16   0.10    -0.21   0.01  -0.07
     7   7     0.01   0.03  -0.13    -0.03  -0.03   0.15    -0.04   0.09   0.04
     8   8    -0.06   0.06  -0.26     0.01   0.02  -0.12     0.23  -0.02   0.09
     9   1     0.03  -0.09  -0.09     0.04   0.08   0.09    -0.03   0.20  -0.03
    10   1    -0.01  -0.04   0.11    -0.12  -0.06   0.18    -0.18   0.08  -0.08
    11   1     0.15  -0.15   0.34    -0.05  -0.04   0.02    -0.11  -0.03   0.01
    12   1     0.27   0.16  -0.26    -0.07  -0.09   0.17    -0.10   0.02   0.07
    13   1    -0.27   0.08  -0.30    -0.01   0.01   0.22     0.01   0.12   0.12
    14   1    -0.12   0.16   0.08     0.08   0.36   0.28    -0.35   0.28  -0.09
    15   1    -0.12   0.11   0.17     0.02   0.04   0.08    -0.43  -0.25  -0.06
    16   1    -0.11   0.16   0.03     0.35   0.21  -0.04     0.05  -0.06  -0.07
    17   1     0.07  -0.16   0.03    -0.10  -0.33  -0.19     0.12  -0.21  -0.05
    18   1    -0.01  -0.01  -0.03     0.04  -0.04  -0.34     0.13  -0.15  -0.07
    19   1    -0.00  -0.05   0.16    -0.04  -0.13  -0.09    -0.08  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    223.9321               246.5923               270.7235
 Red. masses --      1.1411                 1.0783                 1.9389
 Frc consts  --      0.0337                 0.0386                 0.0837
 IR Inten    --      0.8081                 0.2752                 4.9524
 RamAct Fr= 1--      0.1003                 0.0753                 0.4221
  Dep-P Fr= 1--      0.6710                 0.5856                 0.2713
  Dep-U Fr= 1--      0.8031                 0.7387                 0.4268
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0047
 Beta2  Fr= 1--      0.0134                 0.0093                 0.0300
 AlphaG Fr= 1--      0.0004                -0.0010                 0.0025
 Gamma2 Fr= 1--     -0.0106                -0.0301                -0.2701
 Delta2 Fr= 1--      0.0110                 0.0132                -0.0698
 Raman1 Fr= 1--       0.401                  0.301                  1.688
 ROA1   Fr= 1--      -0.670                 -2.471                -28.168
 CID1   Fr= 1--      -1.671                 -8.208                -16.683
 Raman2 Fr= 1--       0.161                  0.111                  0.360
 ROA2   Fr= 1--      -0.343                 -0.829                 -5.925
 CID2   Fr= 1--      -2.129                 -7.455                -16.444
 Raman3 Fr= 1--       0.322                  0.222                  0.721
 ROA3   Fr= 1--      -0.670                 -2.471                -28.168
 CID3   Fr= 1--      -2.081                -11.112                -39.089
 RC180  Fr= 1--       0.606                  0.477                 -0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
     2   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.01  -0.00  -0.07
     3   6     0.00  -0.02  -0.02    -0.01  -0.01  -0.00     0.01  -0.03  -0.07
     4   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.02  -0.03
     5   8     0.02   0.02   0.00    -0.01  -0.00   0.00     0.07   0.02   0.03
     6   6    -0.00  -0.01  -0.02     0.04   0.01   0.00    -0.11   0.15  -0.02
     7   7     0.01  -0.04   0.01    -0.01   0.01  -0.03     0.04  -0.11   0.06
     8   8    -0.04  -0.01   0.02    -0.02  -0.01  -0.01    -0.06  -0.03   0.03
     9   1    -0.01  -0.00  -0.02    -0.00  -0.03  -0.01    -0.01   0.07  -0.05
    10   1     0.05  -0.00  -0.03     0.01   0.01  -0.00     0.08  -0.04  -0.02
    11   1     0.05   0.01  -0.00    -0.01  -0.00  -0.01     0.08   0.03  -0.07
    12   1     0.01  -0.07   0.01    -0.03   0.02  -0.02    -0.29  -0.36   0.21
    13   1     0.02  -0.03   0.03     0.01  -0.01  -0.04     0.43  -0.17   0.33
    14   1    -0.14   0.33   0.08    -0.08   0.35   0.15    -0.11   0.13  -0.07
    15   1    -0.25  -0.30  -0.08    -0.20  -0.29  -0.09    -0.08   0.23   0.17
    16   1     0.37  -0.07  -0.06     0.45  -0.04  -0.06    -0.23   0.24  -0.10
    17   1     0.16  -0.27  -0.06    -0.09   0.40   0.13     0.01   0.20   0.04
    18   1    -0.27   0.27  -0.21     0.20  -0.21   0.33     0.05  -0.06   0.14
    19   1     0.09   0.26   0.41    -0.05  -0.14  -0.31     0.01  -0.00  -0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    292.1084               311.5377               363.4823
 Red. masses --      1.4215                 2.8254                 3.3522
 Frc consts  --      0.0715                 0.1616                 0.2609
 IR Inten    --     13.1367                 7.1082                 9.8872
 RamAct Fr= 1--      0.5962                 0.7910                 0.7914
  Dep-P Fr= 1--      0.2447                 0.3034                 0.4547
  Dep-U Fr= 1--      0.3932                 0.4656                 0.6251
 Alpha2 Fr= 1--      0.0072                 0.0080                 0.0048
 Beta2  Fr= 1--      0.0391                 0.0614                 0.0825
 AlphaG Fr= 1--      0.0113                -0.0033                 0.0023
 Gamma2 Fr= 1--     -0.1642                 0.2230                -0.2754
 Delta2 Fr= 1--     -0.1477                 0.0238                -0.0317
 Raman1 Fr= 1--       2.385                  3.164                  3.166
 ROA1   Fr= 1--     -20.485                 22.169                -27.451
 CID1   Fr= 1--      -8.589                  7.006                 -8.672
 Raman2 Fr= 1--       0.469                  0.737                  0.989
 ROA2   Fr= 1--      -2.758                  5.162                 -6.356
 CID2   Fr= 1--      -5.882                  7.007                 -6.424
 Raman3 Fr= 1--       0.938                  1.473                  1.979
 ROA3   Fr= 1--     -20.485                 22.169                -27.451
 CID3   Fr= 1--     -21.845                 15.048                -13.872
 RC180  Fr= 1--      -0.214                 -0.069                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.02     0.22  -0.11   0.08    -0.05   0.02  -0.10
     2   6    -0.00   0.01  -0.02     0.06   0.07  -0.07     0.02   0.01   0.08
     3   6     0.00  -0.01  -0.00    -0.01   0.03  -0.03     0.04  -0.03  -0.01
     4   6     0.00  -0.02  -0.00    -0.05  -0.02  -0.00     0.07  -0.01  -0.04
     5   8     0.02   0.03  -0.06     0.00   0.03   0.00     0.24   0.12  -0.01
     6   6    -0.07   0.05  -0.00     0.08   0.05  -0.09    -0.05  -0.09   0.07
     7   7     0.06  -0.06   0.10    -0.17  -0.01   0.05    -0.25  -0.02   0.01
     8   8    -0.00  -0.03   0.03    -0.12  -0.02   0.04     0.00  -0.02   0.01
     9   1    -0.02   0.02   0.01    -0.05   0.08  -0.02     0.15  -0.01  -0.00
    10   1     0.01  -0.00  -0.00     0.04   0.08  -0.09    -0.01   0.02   0.08
    11   1     0.15  -0.07   0.15     0.09  -0.01   0.03     0.43   0.08  -0.14
    12   1     0.66   0.06  -0.20    -0.04   0.04  -0.01    -0.36   0.05   0.07
    13   1    -0.56   0.14  -0.17    -0.42   0.13   0.03    -0.33   0.09   0.09
    14   1    -0.10   0.09  -0.04     0.13  -0.04  -0.09    -0.11  -0.06  -0.04
    15   1    -0.10   0.02   0.06     0.15   0.13  -0.10    -0.12  -0.18   0.05
    16   1    -0.07   0.05  -0.01     0.00   0.06  -0.08    -0.03  -0.17   0.17
    17   1    -0.07   0.12   0.00     0.49  -0.16   0.05    -0.29   0.01  -0.09
    18   1     0.02  -0.02   0.04     0.29  -0.13   0.09     0.02   0.04  -0.16
    19   1    -0.01   0.01  -0.12     0.06  -0.26   0.28     0.00   0.05  -0.28
                     10                     11                     12
                      A                      A                      A
 Frequencies --    413.8798               520.2719               545.0772
 Red. masses --      2.7281                 4.4491                 3.9565
 Frc consts  --      0.2753                 0.7095                 0.6926
 IR Inten    --      1.5002                 1.9851                 2.9371
 RamAct Fr= 1--      2.1759                 1.8839                 2.4702
  Dep-P Fr= 1--      0.0965                 0.6065                 0.4956
  Dep-U Fr= 1--      0.1760                 0.7550                 0.6628
 Alpha2 Fr= 1--      0.0384                 0.0050                 0.0124
 Beta2  Fr= 1--      0.0638                 0.2371                 0.2729
 AlphaG Fr= 1--     -0.0107                -0.0105                 0.0225
 Gamma2 Fr= 1--     -0.2690                 0.7947                -0.9823
 Delta2 Fr= 1--     -0.0335                 0.0134                 0.0063
 Raman1 Fr= 1--       8.704                  7.536                  9.881
 ROA1   Fr= 1--     -26.899                 76.717                -94.097
 CID1   Fr= 1--      -3.091                 10.181                 -9.523
 Raman2 Fr= 1--       0.766                  2.845                  3.274
 ROA2   Fr= 1--      -6.189                 18.965                -23.626
 CID2   Fr= 1--      -8.082                  6.666                 -7.215
 Raman3 Fr= 1--       1.531                  5.690                  6.549
 ROA3   Fr= 1--     -26.899                 76.717                -94.097
 CID3   Fr= 1--     -17.565                 13.483                -14.369
 RC180  Fr= 1--      -0.648                  0.510                  0.326
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.05  -0.14     0.05   0.00  -0.01    -0.07  -0.03   0.04
     2   6     0.16   0.08   0.05     0.09  -0.19  -0.10    -0.06  -0.02  -0.08
     3   6     0.05  -0.02   0.10    -0.01  -0.16   0.11    -0.00  -0.01   0.24
     4   6    -0.01  -0.05   0.07     0.02   0.08   0.20     0.07  -0.17   0.16
     5   8    -0.09  -0.05  -0.01    -0.11   0.11   0.03     0.14   0.02  -0.09
     6   6    -0.12  -0.04   0.04    -0.04   0.04  -0.06    -0.03   0.06  -0.13
     7   7     0.03   0.05  -0.02    -0.14  -0.13  -0.05     0.04   0.18   0.02
     8   8    -0.11  -0.00  -0.02     0.19   0.15  -0.08    -0.08  -0.09  -0.10
     9   1    -0.02  -0.07   0.09    -0.20  -0.24   0.09    -0.23  -0.01   0.24
    10   1     0.18   0.09   0.02     0.12  -0.17  -0.12    -0.18   0.04  -0.14
    11   1    -0.17  -0.02  -0.00    -0.05   0.09   0.05     0.22   0.00  -0.18
    12   1    -0.06   0.13   0.03    -0.18   0.09  -0.01    -0.13   0.42   0.12
    13   1     0.14  -0.04  -0.06    -0.28  -0.10  -0.13     0.21  -0.05  -0.16
    14   1    -0.29   0.08  -0.27    -0.13   0.21  -0.07    -0.02   0.11  -0.03
    15   1    -0.29  -0.21   0.20    -0.10   0.04   0.29    -0.01   0.11  -0.01
    16   1    -0.17  -0.14   0.19    -0.11   0.22  -0.28    -0.05   0.18  -0.28
    17   1    -0.03  -0.06  -0.16     0.09   0.12   0.01     0.08   0.02   0.05
    18   1     0.32   0.10  -0.28    -0.15  -0.02   0.11    -0.18  -0.05   0.13
    19   1     0.15   0.01  -0.26     0.16   0.13  -0.02    -0.07  -0.01   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    608.0886               734.0025               810.7170
 Red. masses --      2.6355                 6.0022                 2.4912
 Frc consts  --      0.5742                 1.9053                 0.9647
 IR Inten    --      9.9354                 8.8088                35.9143
 RamAct Fr= 1--      1.6055                 8.0444                 3.3149
  Dep-P Fr= 1--      0.1447                 0.0317                 0.0837
  Dep-U Fr= 1--      0.2529                 0.0615                 0.1544
 Alpha2 Fr= 1--      0.0252                 0.1659                 0.0604
 Beta2  Fr= 1--      0.0677                 0.0825                 0.0853
 AlphaG Fr= 1--      0.0170                 0.0038                -0.0709
 Gamma2 Fr= 1--      0.1504                -0.6326                -0.0213
 Delta2 Fr= 1--      0.1639                -0.1296                 0.0124
 Raman1 Fr= 1--       6.422                 32.178                 13.260
 ROA1   Fr= 1--      19.680                -64.874                 -1.649
 CID1   Fr= 1--       3.064                 -2.016                 -0.124
 Raman2 Fr= 1--       0.812                  0.989                  1.024
 ROA2   Fr= 1--       2.298                -14.145                 -0.610
 CID2   Fr= 1--       2.831                -14.296                 -0.596
 Raman3 Fr= 1--       1.624                  1.979                  2.048
 ROA3   Fr= 1--      19.680                -64.874                 -1.649
 CID3   Fr= 1--      12.118                -32.782                 -0.805
 RC180  Fr= 1--      -0.494                 -0.877                 -0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00    -0.12  -0.03   0.05     0.07   0.01  -0.04
     2   6    -0.07   0.21   0.05    -0.06   0.14   0.04    -0.01  -0.08  -0.07
     3   6    -0.14  -0.06   0.01     0.12  -0.01  -0.03    -0.10   0.05  -0.14
     4   6    -0.04  -0.06   0.10     0.32   0.06   0.22     0.07  -0.04   0.14
     5   8     0.01   0.11   0.00     0.05  -0.19  -0.14     0.03  -0.01  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.05  -0.06     0.00  -0.06   0.15
     7   7     0.03  -0.10  -0.03    -0.04  -0.18  -0.07    -0.07   0.11   0.04
     8   8     0.10  -0.03  -0.08    -0.15   0.23   0.05    -0.02   0.03  -0.02
     9   1    -0.31  -0.15  -0.01    -0.05  -0.16  -0.06    -0.38   0.04  -0.15
    10   1     0.04   0.16   0.08    -0.07   0.12   0.07    -0.03  -0.11  -0.01
    11   1     0.21   0.04  -0.02    -0.39  -0.07   0.13     0.04  -0.09   0.27
    12   1     0.13  -0.25  -0.09    -0.10  -0.19  -0.04     0.34  -0.33  -0.18
    13   1     0.23  -0.23  -0.04    -0.21  -0.00   0.05     0.33  -0.07   0.11
    14   1     0.04  -0.11  -0.05     0.04  -0.08  -0.08     0.04  -0.06   0.26
    15   1     0.01  -0.04  -0.29     0.01   0.02  -0.35     0.04  -0.01   0.16
    16   1     0.07  -0.19   0.25     0.06  -0.11   0.12     0.03  -0.01   0.09
    17   1     0.10  -0.15  -0.04    -0.11  -0.11   0.03     0.12   0.14  -0.02
    18   1     0.34   0.01  -0.12     0.04  -0.02  -0.02    -0.12  -0.01   0.06
    19   1    -0.20  -0.25   0.08    -0.23  -0.16   0.07     0.19   0.15  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.2984               876.6753               901.0411
 Red. masses --      2.1115                 1.2958                 1.8198
 Frc consts  --      0.8784                 0.5868                 0.8705
 IR Inten    --     49.1301                70.6109                59.7516
 RamAct Fr= 1--      4.3233                 1.5968                 3.1241
  Dep-P Fr= 1--      0.0229                 0.5255                 0.7094
  Dep-U Fr= 1--      0.0447                 0.6889                 0.8300
 Alpha2 Fr= 1--      0.0911                 0.0070                 0.0022
 Beta2  Fr= 1--      0.0322                 0.1833                 0.4322
 AlphaG Fr= 1--      0.0252                 0.0457                -0.0020
 Gamma2 Fr= 1--     -0.0985                -0.5882                -0.0643
 Delta2 Fr= 1--      0.0223                -0.3132                -0.0242
 Raman1 Fr= 1--      17.293                  6.387                 12.496
 ROA1   Fr= 1--      -8.746                -66.488                 -6.947
 CID1   Fr= 1--      -0.506                -10.409                 -0.556
 Raman2 Fr= 1--       0.387                  2.200                  5.186
 ROA2   Fr= 1--      -2.543                -11.611                 -1.350
 CID2   Fr= 1--      -6.579                 -5.277                 -0.260
 Raman3 Fr= 1--       0.773                  4.400                 10.372
 ROA3   Fr= 1--      -8.746                -66.488                 -6.947
 CID3   Fr= 1--     -11.312                -15.110                 -0.670
 RC180  Fr= 1--      -0.911                  0.378                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00    -0.04  -0.03   0.04     0.07   0.06  -0.07
     2   6    -0.00   0.01  -0.02     0.05   0.01   0.04    -0.10   0.01  -0.06
     3   6     0.08   0.10  -0.11     0.06  -0.00  -0.03    -0.05   0.01   0.09
     4   6    -0.02  -0.10   0.15    -0.02  -0.02   0.01    -0.01   0.04  -0.06
     5   8    -0.07   0.06   0.02    -0.04   0.04  -0.03     0.03  -0.03  -0.04
     6   6    -0.01  -0.01   0.05     0.01   0.02  -0.06    -0.03  -0.05   0.09
     7   7     0.10  -0.03  -0.04    -0.02   0.04  -0.02     0.06  -0.07  -0.06
     8   8     0.00  -0.05  -0.06     0.01  -0.03   0.00    -0.00   0.02   0.03
     9   1    -0.06   0.09  -0.11     0.08  -0.06  -0.03    -0.09   0.06   0.10
    10   1    -0.07  -0.01   0.03     0.05  -0.00   0.04    -0.15   0.06  -0.11
    11   1     0.07   0.05  -0.20     0.30  -0.28   0.82     0.19  -0.21   0.53
    12   1    -0.43   0.03   0.21    -0.09  -0.07   0.01    -0.41   0.20   0.18
    13   1    -0.46   0.50   0.27     0.15   0.03   0.11    -0.17   0.07  -0.04
    14   1     0.04  -0.07   0.09    -0.03   0.03  -0.16     0.04  -0.04   0.29
    15   1     0.02  -0.01  -0.05    -0.02  -0.01  -0.04     0.05   0.03   0.08
    16   1     0.03  -0.05   0.08    -0.02  -0.01  -0.01     0.03   0.05  -0.05
    17   1    -0.05   0.05   0.02    -0.18  -0.07   0.04     0.32   0.11  -0.07
    18   1    -0.14  -0.01   0.04    -0.04   0.00  -0.02     0.08  -0.01   0.03
    19   1     0.08   0.08  -0.04    -0.00   0.01  -0.04    -0.03  -0.04   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    937.7901               971.2686               998.8809
 Red. masses --      1.1897                 1.4691                 2.0701
 Frc consts  --      0.6165                 0.8165                 1.2169
 IR Inten    --      1.4996                 1.6942                59.9589
 RamAct Fr= 1--      0.4697                 2.5316                 1.6049
  Dep-P Fr= 1--      0.5102                 0.7477                 0.6497
  Dep-U Fr= 1--      0.6757                 0.8556                 0.7877
 Alpha2 Fr= 1--      0.0022                 0.0001                 0.0029
 Beta2  Fr= 1--      0.0529                 0.3610                 0.2107
 AlphaG Fr= 1--      0.0040                -0.0004                -0.0194
 Gamma2 Fr= 1--      0.0128                 0.1944                 1.2429
 Delta2 Fr= 1--      0.1297                -0.0404                 0.8441
 Raman1 Fr= 1--       1.879                 10.126                  6.420
 ROA1   Fr= 1--       5.380                 17.366                146.326
 CID1   Fr= 1--       2.863                  1.715                 22.794
 Raman2 Fr= 1--       0.635                  4.332                  2.528
 ROA2   Fr= 1--      -0.730                  4.989                 23.076
 CID2   Fr= 1--      -1.151                  1.151                  9.127
 Raman3 Fr= 1--       1.270                  8.664                  5.056
 ROA3   Fr= 1--       5.380                 17.366                146.326
 CID3   Fr= 1--       4.238                  2.004                 28.938
 RC180  Fr= 1--       0.351                  0.711                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.06    -0.12   0.02   0.02    -0.03   0.04  -0.07
     2   6    -0.02  -0.02   0.03     0.07   0.03  -0.06    -0.07   0.05  -0.04
     3   6     0.00   0.01  -0.02    -0.03   0.01  -0.03     0.22   0.00   0.01
     4   6     0.01  -0.01   0.02     0.00   0.00   0.01     0.03  -0.05   0.02
     5   8    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.08   0.06   0.04
     6   6    -0.05  -0.06  -0.03     0.09  -0.06   0.05    -0.03  -0.04   0.05
     7   7     0.00   0.01   0.00     0.02   0.01   0.00    -0.08  -0.02  -0.00
     8   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.02
     9   1     0.02  -0.00  -0.02    -0.08   0.01  -0.03     0.48  -0.03   0.00
    10   1     0.18   0.13  -0.26     0.26   0.08  -0.21    -0.27   0.18  -0.18
    11   1    -0.00   0.00  -0.01     0.00  -0.00  -0.01    -0.03   0.04   0.02
    12   1     0.01  -0.02  -0.00    -0.05  -0.01   0.03     0.26  -0.10  -0.16
    13   1    -0.01   0.02   0.02    -0.06   0.10   0.06     0.22  -0.23  -0.06
    14   1     0.08   0.02   0.42    -0.12   0.18  -0.18     0.02   0.01   0.24
    15   1     0.12   0.16   0.02    -0.06  -0.11   0.56     0.05   0.06   0.09
    16   1     0.09   0.20  -0.41    -0.15   0.09  -0.06     0.01   0.07  -0.11
    17   1    -0.33  -0.25   0.01     0.11  -0.13  -0.03     0.35   0.11  -0.07
    18   1     0.34   0.16  -0.27     0.20  -0.05   0.00     0.02  -0.07   0.10
    19   1    -0.01  -0.06  -0.18    -0.42  -0.31   0.17    -0.19  -0.10   0.18
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1036.9251              1085.8003              1163.0615
 Red. masses --      1.9089                 1.5880                 1.9981
 Frc consts  --      1.2093                 1.1030                 1.5925
 IR Inten    --      6.7725                 8.3868                 2.8017
 RamAct Fr= 1--      4.7409                 3.3976                 2.1947
  Dep-P Fr= 1--      0.3994                 0.7278                 0.4791
  Dep-U Fr= 1--      0.5708                 0.8424                 0.6478
 Alpha2 Fr= 1--      0.0352                 0.0013                 0.0119
 Beta2  Fr= 1--      0.4510                 0.4770                 0.2369
 AlphaG Fr= 1--     -0.0118                -0.0047                -0.0034
 Gamma2 Fr= 1--     -0.0334                 0.4160                 1.0040
 Delta2 Fr= 1--     -0.5947                 0.3316                 0.3373
 Raman1 Fr= 1--      18.963                 13.590                  8.779
 ROA1   Fr= 1--     -22.241                 50.546                107.173
 CID1   Fr= 1--      -1.173                  3.719                 12.208
 Raman2 Fr= 1--       5.412                  5.725                  2.843
 ROA2   Fr= 1--       3.955                  7.331                 21.396
 CID2   Fr= 1--       0.731                  1.281                  7.525
 Raman3 Fr= 1--      10.824                 11.449                  5.687
 ROA3   Fr= 1--     -22.241                 50.546                107.173
 CID3   Fr= 1--      -2.055                  4.415                 18.846
 RC180  Fr= 1--       0.142                  0.685                  0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.03    -0.05  -0.04   0.05    -0.03  -0.11  -0.01
     2   6     0.03   0.06   0.03     0.08   0.02  -0.13     0.08   0.16  -0.07
     3   6    -0.04   0.18   0.07     0.04   0.03   0.01     0.03  -0.13   0.03
     4   6    -0.00  -0.01  -0.00     0.04  -0.01  -0.04    -0.07   0.04  -0.04
     5   8     0.01   0.01  -0.00    -0.03   0.03   0.02     0.02  -0.03  -0.00
     6   6     0.06  -0.05  -0.02    -0.03   0.03   0.09    -0.05  -0.03   0.05
     7   7    -0.01  -0.12  -0.07    -0.02  -0.05   0.01     0.01   0.05   0.01
     8   8    -0.01  -0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.03   0.02
     9   1    -0.05   0.14   0.06    -0.26   0.47   0.10    -0.18  -0.44  -0.04
    10   1    -0.38   0.25  -0.14     0.28  -0.01  -0.15     0.01   0.31  -0.28
    11   1    -0.00   0.01  -0.01    -0.05   0.02   0.08     0.07  -0.03  -0.09
    12   1     0.11  -0.22  -0.14    -0.02   0.31   0.04     0.02  -0.18  -0.01
    13   1     0.06  -0.18  -0.09     0.08  -0.32  -0.29    -0.04   0.23   0.21
    14   1    -0.09   0.17  -0.12     0.07  -0.14   0.14     0.04  -0.02   0.27
    15   1    -0.01  -0.03   0.42     0.02   0.01  -0.22     0.09   0.11  -0.01
    16   1    -0.12   0.12  -0.16     0.10  -0.11   0.23     0.09   0.03  -0.06
    17   1    -0.25   0.04   0.07    -0.23  -0.10   0.04    -0.13   0.12   0.05
    18   1    -0.23   0.02  -0.00    -0.07   0.01  -0.03    -0.40  -0.08   0.10
    19   1     0.29   0.23  -0.12    -0.00  -0.01  -0.07     0.15   0.13   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1200.1039              1204.6202              1218.4120
 Red. masses --      1.9731                 2.0581                 2.4615
 Frc consts  --      1.6743                 1.7596                 2.1529
 IR Inten    --     11.3107                 5.1388                13.8535
 RamAct Fr= 1--      1.7842                 3.0942                 5.2251
  Dep-P Fr= 1--      0.6638                 0.7489                 0.2212
  Dep-U Fr= 1--      0.7979                 0.8564                 0.3623
 Alpha2 Fr= 1--      0.0027                 0.0001                 0.0670
 Beta2  Fr= 1--      0.2373                 0.4417                 0.3155
 AlphaG Fr= 1--      0.0095                -0.0003                 0.0173
 Gamma2 Fr= 1--     -1.7934                 0.3040                 0.4420
 Delta2 Fr= 1--     -0.3979                -0.5553                 0.4130
 Raman1 Fr= 1--       7.137                 12.377                 20.901
 ROA1   Fr= 1--    -184.903                 11.414                 55.644
 CID1   Fr= 1--     -25.908                  0.922                  2.662
 Raman2 Fr= 1--       2.847                  5.300                  3.786
 ROA2   Fr= 1--     -39.859                 11.738                  7.303
 CID2   Fr= 1--     -13.998                  2.215                  1.929
 Raman3 Fr= 1--       5.695                 10.600                  7.572
 ROA3   Fr= 1--    -184.903                 11.414                 55.644
 CID3   Fr= 1--     -32.468                  1.077                  7.348
 RC180  Fr= 1--       0.596                  0.713                 -0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.03    -0.03  -0.05  -0.08     0.06   0.00   0.06
     2   6    -0.11   0.08  -0.02     0.07   0.09   0.14    -0.11   0.01  -0.07
     3   6     0.02  -0.12  -0.14    -0.09  -0.02  -0.08    -0.03  -0.09   0.01
     4   6    -0.07   0.01   0.07     0.12  -0.03  -0.03     0.22  -0.03  -0.12
     5   8     0.01  -0.04  -0.02    -0.03   0.05   0.02    -0.06   0.10   0.06
     6   6     0.08  -0.02   0.01    -0.04  -0.08  -0.06     0.06   0.02   0.03
     7   7     0.01   0.01   0.08     0.02  -0.01   0.04     0.02   0.04   0.02
     8   8     0.02   0.05   0.00    -0.01  -0.02  -0.01    -0.02  -0.07  -0.01
     9   1     0.23   0.20  -0.07    -0.06   0.14  -0.05    -0.17  -0.36  -0.06
    10   1    -0.21   0.11  -0.04     0.22  -0.01   0.26    -0.25   0.07  -0.12
    11   1     0.18  -0.08  -0.05    -0.24   0.09   0.15    -0.48   0.20   0.24
    12   1    -0.12   0.52   0.18    -0.11   0.30   0.13    -0.07  -0.03   0.05
    13   1     0.08  -0.27  -0.26    -0.03  -0.15  -0.18    -0.11   0.16   0.09
    14   1    -0.07   0.12  -0.15    -0.01   0.07   0.20    -0.04   0.06  -0.18
    15   1    -0.05  -0.11   0.25     0.11   0.11   0.06    -0.08  -0.12   0.13
    16   1    -0.17   0.04  -0.00     0.03   0.16  -0.40    -0.13  -0.04   0.16
    17   1    -0.17   0.01   0.05     0.21   0.20  -0.03    -0.21  -0.07   0.05
    18   1    -0.06   0.08  -0.09    -0.25  -0.15   0.20     0.04   0.12  -0.15
    19   1     0.18   0.11  -0.13     0.02   0.06   0.17     0.12   0.04  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.0620              1354.2961              1370.4179
 Red. masses --      1.3086                 1.4808                 1.3611
 Frc consts  --      1.2693                 1.6002                 1.5061
 IR Inten    --      0.4390                 0.2728                 1.1677
 RamAct Fr= 1--      4.8609                 5.2731                 5.4941
  Dep-P Fr= 1--      0.6245                 0.6196                 0.7388
  Dep-U Fr= 1--      0.7688                 0.7651                 0.8498
 Alpha2 Fr= 1--      0.0111                 0.0126                 0.0010
 Beta2  Fr= 1--      0.6229                 0.6724                 0.7781
 AlphaG Fr= 1--      0.0009                 0.0211                -0.0028
 Gamma2 Fr= 1--     -0.3217                -0.6863                -0.2755
 Delta2 Fr= 1--     -0.8898                -1.0107                -0.5568
 Raman1 Fr= 1--      19.444                 21.092                 21.976
 ROA1   Fr= 1--     -59.352                -98.223                -44.266
 CID1   Fr= 1--      -3.052                 -4.657                 -2.014
 Raman2 Fr= 1--       7.474                  8.069                  9.338
 ROA2   Fr= 1--      -0.601                 -8.385                 -2.157
 CID2   Fr= 1--      -0.080                 -1.039                 -0.231
 Raman3 Fr= 1--      14.949                 16.138                 18.675
 ROA3   Fr= 1--     -59.352                -98.223                -44.266
 CID3   Fr= 1--      -3.970                 -6.087                 -2.370
 RC180  Fr= 1--       0.538                  0.530                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.00     0.03  -0.05  -0.03     0.02   0.01   0.04
     2   6     0.02  -0.01  -0.03    -0.17   0.03   0.02     0.02   0.08  -0.12
     3   6    -0.14   0.02   0.01     0.06   0.01   0.05    -0.02  -0.05   0.04
     4   6     0.03  -0.02   0.05    -0.00  -0.00  -0.01    -0.00  -0.00   0.01
     5   8     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6    -0.01   0.04   0.02     0.04  -0.01  -0.01    -0.01  -0.05  -0.02
     7   7     0.01  -0.00  -0.00    -0.02   0.00  -0.03    -0.00   0.02  -0.03
     8   8    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1     0.83  -0.09   0.00    -0.09   0.15   0.08     0.31   0.27   0.12
    10   1     0.27   0.12  -0.32     0.85  -0.13  -0.03    -0.08  -0.39   0.65
    11   1    -0.10   0.03   0.07     0.01  -0.00  -0.01    -0.08   0.03   0.03
    12   1    -0.04  -0.03   0.02     0.07  -0.13  -0.08     0.03  -0.18  -0.06
    13   1    -0.04   0.00  -0.03     0.00   0.09   0.11    -0.03   0.12   0.09
    14   1     0.04  -0.07   0.02    -0.04   0.11  -0.03     0.01   0.06   0.20
    15   1    -0.03  -0.01  -0.06    -0.03  -0.07   0.07     0.05   0.06   0.18
    16   1     0.05  -0.07   0.15    -0.15   0.02   0.01    -0.00  -0.03  -0.04
    17   1    -0.00   0.03   0.01     0.02   0.17   0.02    -0.14  -0.05   0.03
    18   1    -0.10  -0.02   0.01    -0.11  -0.00  -0.04    -0.06   0.08  -0.06
    19   1     0.06   0.04  -0.03     0.14   0.10   0.01    -0.06  -0.09  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1402.7396              1406.8571              1413.4348
 Red. masses --      1.3086                 1.2435                 1.5704
 Frc consts  --      1.5171                 1.4501                 1.8485
 IR Inten    --      8.6364                 5.8646               418.8900
 RamAct Fr= 1--      1.7091                 0.2630                 3.5804
  Dep-P Fr= 1--      0.6085                 0.5637                 0.1607
  Dep-U Fr= 1--      0.7566                 0.7210                 0.2770
 Alpha2 Fr= 1--      0.0045                 0.0009                 0.0539
 Beta2  Fr= 1--      0.2155                 0.0316                 0.1653
 AlphaG Fr= 1--     -0.0052                 0.0005                -0.0316
 Gamma2 Fr= 1--      1.3967                -0.0002                -0.0396
 Delta2 Fr= 1--      0.4453                -0.0143                -0.0046
 Raman1 Fr= 1--       6.837                  1.052                 14.321
 ROA1   Fr= 1--     148.327                 -0.481                 -3.945
 CID1   Fr= 1--      21.696                 -0.457                 -0.275
 Raman2 Fr= 1--       2.586                  0.379                  1.983
 ROA2   Fr= 1--      29.958                  0.109                 -0.913
 CID2   Fr= 1--      11.583                  0.287                 -0.460
 Raman3 Fr= 1--       5.173                  0.758                  3.966
 ROA3   Fr= 1--     148.327                 -0.481                 -3.945
 CID3   Fr= 1--      28.675                 -0.634                 -0.995
 RC180  Fr= 1--       0.513                  0.442                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.09  -0.04   0.04    -0.02  -0.01   0.01
     2   6     0.01  -0.02   0.07     0.01   0.01  -0.02     0.00   0.01  -0.01
     3   6    -0.02  -0.12   0.00    -0.01  -0.03   0.01    -0.05  -0.01   0.02
     4   6     0.02  -0.01   0.00    -0.01   0.00   0.01     0.14  -0.04  -0.06
     5   8    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.11  -0.01   0.03
     6   6     0.01   0.02   0.01     0.00  -0.03   0.09    -0.00  -0.00  -0.01
     7   7     0.01   0.03  -0.05     0.00   0.00  -0.01     0.01   0.02  -0.00
     8   8     0.00   0.01   0.00     0.00  -0.01  -0.00    -0.02   0.05   0.02
     9   1    -0.01   0.75   0.20     0.06   0.13   0.04     0.06   0.00   0.02
    10   1    -0.18   0.23  -0.29    -0.05  -0.02   0.05     0.00  -0.02   0.04
    11   1    -0.02   0.01  -0.00    -0.10   0.04   0.04     0.81  -0.30  -0.38
    12   1     0.06  -0.22  -0.10     0.02  -0.05  -0.02    -0.01  -0.08  -0.00
    13   1    -0.04   0.21   0.17    -0.01   0.06   0.06     0.01  -0.00  -0.02
    14   1    -0.01  -0.02  -0.08    -0.18   0.04  -0.34     0.01   0.01   0.04
    15   1    -0.02  -0.02  -0.07     0.12   0.03  -0.33     0.00   0.01   0.04
    16   1    -0.01   0.02  -0.00     0.04   0.23  -0.29     0.00  -0.03   0.04
    17   1    -0.10  -0.03  -0.02     0.39   0.13   0.04     0.10   0.03   0.01
    18   1    -0.09  -0.04   0.11     0.34   0.05  -0.25     0.10   0.01  -0.07
    19   1    -0.07  -0.07   0.11     0.24   0.29  -0.19     0.08   0.10  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2035              1487.3043              1498.4209
 Red. masses --      1.2454                 1.0441                 1.0504
 Frc consts  --      1.4967                 1.3607                 1.3895
 IR Inten    --     10.8866                 0.3416                 3.6108
 RamAct Fr= 1--      0.6723                 7.1124                 1.6173
  Dep-P Fr= 1--      0.1325                 0.7456                 0.7371
  Dep-U Fr= 1--      0.2340                 0.8542                 0.8487
 Alpha2 Fr= 1--      0.0109                 0.0005                 0.0004
 Beta2  Fr= 1--      0.0262                 1.0126                 0.2288
 AlphaG Fr= 1--     -0.0060                 0.0082                -0.0003
 Gamma2 Fr= 1--      0.0590                 0.0906                 0.1466
 Delta2 Fr= 1--      0.1320                 0.1861                -0.1693
 Raman1 Fr= 1--       2.689                 28.450                  6.469
 ROA1   Fr= 1--       9.887                 14.653                  8.654
 CID1   Fr= 1--       3.677                  0.515                  1.338
 Raman2 Fr= 1--       0.315                 12.152                  2.745
 ROA2   Fr= 1--       0.360                  0.686                  4.872
 CID2   Fr= 1--       1.144                  0.056                  1.775
 Raman3 Fr= 1--       0.629                 24.303                  5.490
 ROA3   Fr= 1--       9.887                 14.653                  8.654
 CID3   Fr= 1--      15.713                  0.603                  1.576
 RC180  Fr= 1--      -0.532                  0.708                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03   0.02     0.02  -0.03  -0.00    -0.01  -0.01  -0.04
     2   6     0.01  -0.00   0.02    -0.01  -0.00   0.00     0.02   0.00  -0.03
     3   6     0.01  -0.03  -0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.02   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.03  -0.10    -0.03   0.03   0.01     0.03   0.01   0.01
     7   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   8     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.07   0.14   0.03    -0.01   0.01   0.00     0.05  -0.04  -0.01
    10   1    -0.06   0.07  -0.06    -0.01  -0.02   0.03    -0.05  -0.04   0.06
    11   1    -0.13   0.05   0.06     0.01  -0.00  -0.01    -0.00  -0.00   0.00
    12   1    -0.01   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.00
    13   1    -0.02   0.04   0.02    -0.00  -0.01  -0.02     0.00   0.01   0.03
    14   1     0.20  -0.05   0.39     0.13  -0.43  -0.21     0.09  -0.02   0.17
    15   1    -0.11  -0.00   0.38    -0.12  -0.05   0.27    -0.17  -0.25  -0.18
    16   1    -0.01  -0.28   0.33     0.41   0.04  -0.16    -0.33   0.14  -0.07
    17   1     0.33   0.10   0.02    -0.12   0.45   0.12    -0.37   0.15   0.03
    18   1     0.32  -0.01  -0.16     0.00   0.19  -0.34     0.40  -0.15   0.06
    19   1     0.20   0.27  -0.10    -0.11  -0.12   0.24     0.09   0.23   0.53
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1508.9627              1512.1789              1656.6973
 Red. masses --      1.0588                 1.0417                 1.0924
 Frc consts  --      1.4204                 1.4034                 1.7666
 IR Inten    --      7.9895                11.2712                30.6669
 RamAct Fr= 1--      2.0650                 6.1980                 4.1727
  Dep-P Fr= 1--      0.6964                 0.7264                 0.6100
  Dep-U Fr= 1--      0.8211                 0.8415                 0.7578
 Alpha2 Fr= 1--      0.0019                 0.0025                 0.0107
 Beta2  Fr= 1--      0.2826                 0.8693                 0.5270
 AlphaG Fr= 1--     -0.0020                -0.0022                 0.0003
 Gamma2 Fr= 1--     -0.5992                -0.1987                 0.1491
 Delta2 Fr= 1--     -0.4007                 0.0706                -0.0361
 Raman1 Fr= 1--       8.260                 24.792                 16.691
 ROA1   Fr= 1--     -70.351                -16.818                 13.161
 CID1   Fr= 1--      -8.517                 -0.678                  0.789
 Raman2 Fr= 1--       3.391                 10.431                  6.324
 ROA2   Fr= 1--     -11.176                 -5.334                  3.867
 CID2   Fr= 1--      -3.296                 -0.511                  0.612
 Raman3 Fr= 1--       6.782                 20.863                 12.648
 ROA3   Fr= 1--     -70.351                -16.818                 13.161
 CID3   Fr= 1--     -10.373                 -0.806                  1.041
 RC180  Fr= 1--       0.642                  0.683                  0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.02     0.00  -0.01  -0.02     0.00   0.00   0.00
     2   6     0.04  -0.03   0.02    -0.02  -0.02  -0.01     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
     5   8     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.02  -0.01  -0.01    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.01   0.00  -0.01     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    10   1    -0.07   0.04  -0.06    -0.01  -0.00  -0.05    -0.01  -0.00   0.01
    11   1     0.00  -0.00   0.00    -0.01   0.00   0.01     0.02  -0.01  -0.02
    12   1    -0.00   0.02   0.00    -0.02   0.01   0.02     0.30   0.63  -0.11
    13   1     0.01  -0.01   0.00    -0.01  -0.01  -0.02     0.29   0.22   0.59
    14   1    -0.08   0.33   0.22    -0.26   0.34  -0.16    -0.00  -0.01  -0.01
    15   1     0.07   0.00  -0.26     0.39   0.46   0.08     0.01   0.02   0.02
    16   1    -0.37  -0.03   0.14     0.26  -0.25   0.23     0.04  -0.02   0.01
    17   1     0.07   0.44   0.11    -0.23   0.12   0.03    -0.00  -0.01   0.00
    18   1    -0.17   0.28  -0.41     0.21  -0.06  -0.00    -0.01   0.00   0.00
    19   1    -0.20  -0.27   0.01     0.04   0.11   0.32    -0.00  -0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1835.0240              3020.2286              3024.9985
 Red. masses --      9.7076                 1.0425                 1.0395
 Frc consts  --     19.2594                 5.6028                 5.6044
 IR Inten    --    289.7659                24.7714                26.6826
 RamAct Fr= 1--     14.3579                33.0072               259.3784
  Dep-P Fr= 1--      0.2909                 0.0690                 0.0044
  Dep-U Fr= 1--      0.4507                 0.1291                 0.0088
 Alpha2 Fr= 1--      0.1513                 0.6230                 5.7049
 Beta2  Fr= 1--      1.0785                 0.7100                 0.3796
 AlphaG Fr= 1--      0.2049                 0.1513                 0.1023
 Gamma2 Fr= 1--      2.0117                 0.0397                -0.2060
 Delta2 Fr= 1--      0.4448                -0.3298                 0.4879
 Raman1 Fr= 1--      57.432                132.029               1037.514
 ROA1   Fr= 1--     207.361                 -6.743                 -4.162
 CID1   Fr= 1--       3.611                 -0.051                 -0.004
 Raman2 Fr= 1--      12.942                  8.520                  4.556
 ROA2   Fr= 1--      44.724                  3.592                 -8.847
 CID2   Fr= 1--       3.456                  0.422                 -1.942
 Raman3 Fr= 1--      25.884                 17.041                  9.111
 ROA3   Fr= 1--     207.361                 -6.743                 -4.162
 CID3   Fr= 1--       8.011                 -0.396                 -0.457
 RC180  Fr= 1--      -0.099                 -0.742                 -0.982
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.01   0.01  -0.01    -0.03  -0.03   0.01
     2   6    -0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.01   0.01
     3   6    -0.02  -0.04  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6     0.13   0.68   0.19     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.04  -0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00  -0.01  -0.02
     7   7    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.08  -0.42  -0.12     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.02   0.04   0.01    -0.00  -0.01   0.03    -0.00  -0.02   0.11
    10   1     0.06   0.01   0.01    -0.01  -0.07  -0.04    -0.02  -0.10  -0.07
    11   1     0.47  -0.11  -0.20     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   1     0.02  -0.02  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1     0.01   0.01   0.04    -0.30  -0.16   0.10    -0.12  -0.07   0.04
    15   1    -0.01  -0.01   0.01     0.24  -0.22   0.03     0.09  -0.09   0.01
    16   1    -0.03   0.01   0.00     0.14   0.61   0.44     0.06   0.27   0.19
    17   1    -0.01  -0.00   0.00     0.02  -0.05   0.23    -0.03   0.11  -0.50
    18   1    -0.02  -0.00   0.01    -0.05  -0.23  -0.14     0.12   0.53   0.33
    19   1     0.02   0.02  -0.01    -0.14   0.12  -0.03     0.29  -0.26   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3040.3171              3059.6231              3079.7860
 Red. masses --      1.0826                 1.0838                 1.0954
 Frc consts  --      5.8959                 5.9777                 6.1215
 IR Inten    --      8.3639                 1.0313                14.2890
 RamAct Fr= 1--    111.3151                72.9716                28.1253
  Dep-P Fr= 1--      0.1446                 0.6973                 0.6339
  Dep-U Fr= 1--      0.2527                 0.8216                 0.7759
 Alpha2 Fr= 1--      1.7443                 0.0672                 0.0592
 Beta2  Fr= 1--      4.6889                 9.9926                 3.6372
 AlphaG Fr= 1--     -0.1519                -0.1260                 0.0087
 Gamma2 Fr= 1--      3.0334               -11.1854                 8.5543
 Delta2 Fr= 1--      2.3908                -7.0606                 8.6638
 Raman1 Fr= 1--     445.260                291.886                112.501
 ROA1   Fr= 1--     367.717              -1299.738               1098.457
 CID1   Fr= 1--       0.826                 -4.453                  9.764
 Raman2 Fr= 1--      56.266                119.911                 43.646
 ROA2   Fr= 1--      53.676               -211.966                135.993
 CID2   Fr= 1--       0.954                 -1.768                  3.116
 Raman3 Fr= 1--     112.533                239.821                 87.292
 ROA3   Fr= 1--     367.717              -1299.738               1098.457
 CID3   Fr= 1--       3.268                 -5.420                 12.584
 RC180  Fr= 1--      -0.495                  0.643                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01   0.02   0.03     0.00  -0.04  -0.05
     2   6     0.00   0.01   0.00    -0.01  -0.06  -0.04    -0.00  -0.01  -0.00
     3   6     0.00   0.02  -0.08     0.00   0.00  -0.01     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.01     0.00   0.02  -0.00    -0.00   0.06   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.02  -0.21   0.96    -0.00  -0.02   0.10     0.00  -0.00   0.02
    10   1    -0.02  -0.08  -0.05     0.13   0.70   0.44     0.02   0.08   0.05
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.01   0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.04   0.02  -0.01    -0.17  -0.08   0.06    -0.30  -0.14   0.11
    15   1    -0.03   0.02  -0.00     0.18  -0.15   0.03     0.39  -0.32   0.07
    16   1    -0.01  -0.06  -0.04    -0.01  -0.05  -0.04    -0.07  -0.27  -0.20
    17   1     0.00  -0.01   0.05    -0.02   0.07  -0.28     0.03  -0.11   0.42
    18   1    -0.01  -0.06  -0.03    -0.05  -0.21  -0.13     0.10   0.43   0.25
    19   1    -0.05   0.04  -0.01     0.13  -0.11   0.03    -0.16   0.12  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8254              3096.3625              3107.9720
 Red. masses --      1.0959                 1.0996                 1.1023
 Frc consts  --      6.1605                 6.2112                 6.2733
 IR Inten    --     38.5373                34.1554                20.3724
 RamAct Fr= 1--     72.3425               100.6938                66.2360
  Dep-P Fr= 1--      0.1688                 0.4714                 0.7449
  Dep-U Fr= 1--      0.2888                 0.6408                 0.8538
 Alpha2 Fr= 1--      1.0660                 0.5649                 0.0057
 Beta2  Fr= 1--      3.4818                10.7533                 9.4255
 AlphaG Fr= 1--     -0.0775                -0.3057                -0.0130
 Gamma2 Fr= 1--     -0.1140                 2.7701                -4.2972
 Delta2 Fr= 1--     -3.0865                 3.0254                -3.5897
 Raman1 Fr= 1--     289.370                402.775                264.944
 ROA1   Fr= 1--    -109.709                362.739               -527.399
 CID1   Fr= 1--      -0.379                  0.901                 -1.991
 Raman2 Fr= 1--      41.781                129.040                113.106
 ROA2   Fr= 1--      21.956                 42.278                -74.415
 CID2   Fr= 1--       0.526                  0.328                 -0.658
 Raman3 Fr= 1--      83.563                258.080                226.212
 ROA3   Fr= 1--    -109.709                362.739               -527.399
 CID3   Fr= 1--      -1.313                  1.406                 -2.331
 RC180  Fr= 1--      -0.422                  0.282                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.06    -0.05   0.07  -0.03    -0.00   0.01  -0.00
     2   6    -0.01  -0.03  -0.02     0.00   0.02   0.01    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.01   0.02   0.00    -0.09  -0.00   0.01
     7   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.08   0.38   0.24    -0.03  -0.17  -0.10     0.00   0.01   0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.22   0.10  -0.08    -0.14  -0.07   0.05     0.65   0.34  -0.24
    15   1    -0.32   0.27  -0.06     0.08  -0.06   0.02     0.45  -0.41   0.08
    16   1     0.07   0.27   0.21    -0.02  -0.10  -0.08    -0.00   0.08   0.06
    17   1     0.02  -0.12   0.50     0.01  -0.07   0.36     0.00  -0.01   0.03
    18   1     0.07   0.31   0.17    -0.06  -0.19  -0.13    -0.00  -0.01  -0.01
    19   1     0.11  -0.10   0.01     0.64  -0.53   0.11     0.06  -0.05   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3432.5393              3510.7421              3594.0943
 Red. masses --      1.0642                 1.0504                 1.0928
 Frc consts  --      7.3873                 7.6282                 8.3172
 IR Inten    --    250.5299                 0.5864                12.4136
 RamAct Fr= 1--     73.9478                87.2862                52.0233
  Dep-P Fr= 1--      0.0842                 0.0626                 0.5316
  Dep-U Fr= 1--      0.1553                 0.1179                 0.6941
 Alpha2 Fr= 1--      1.3455                 1.6729                 0.2198
 Beta2  Fr= 1--      1.9146                 1.7149                 6.0186
 AlphaG Fr= 1--      0.3660                -0.0197                 0.2396
 Gamma2 Fr= 1--     -0.5057                 4.2173                -0.3752
 Delta2 Fr= 1--      0.6346                 0.8136                -1.9589
 Raman1 Fr= 1--     295.791                349.145                208.093
 ROA1   Fr= 1--     -28.241                430.901                -98.699
 CID1   Fr= 1--      -0.095                  1.234                 -0.474
 Raman2 Fr= 1--      22.975                 20.579                 72.224
 ROA2   Fr= 1--     -17.214                 94.707                  6.667
 CID2   Fr= 1--      -0.749                  4.602                  0.092
 Raman3 Fr= 1--      45.950                 41.158                144.448
 ROA3   Fr= 1--     -28.241                430.901                -98.699
 CID3   Fr= 1--      -0.615                 10.469                 -0.683
 RC180  Fr= 1--      -0.689                 -0.764                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.05  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   7    -0.00  -0.00  -0.00    -0.04  -0.02  -0.03    -0.01  -0.05   0.06
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00  -0.02
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.35   0.91   0.20    -0.04  -0.08  -0.02    -0.01  -0.01  -0.00
    12   1     0.03  -0.01   0.06     0.35  -0.07   0.76    -0.25   0.03  -0.47
    13   1     0.03   0.04  -0.04     0.22   0.40  -0.30     0.38   0.61  -0.44
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   592.539251224.836551436.89018
           X            0.99977  -0.02100  -0.00368
           Y            0.02078   0.99844  -0.05181
           Z            0.00476   0.05173   0.99865
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14617     0.07071     0.06028
 Rotational constants (GHZ):           3.04577     1.47345     1.25600
 Zero-point vibrational energy     432526.0 (Joules/Mol)
                                  103.37620 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     81.56   119.73   265.33   322.19   354.79
          (Kelvin)            389.51   420.28   448.23   522.97   595.48
                              748.56   784.24   874.90  1056.07  1166.44
                             1209.00  1261.34  1296.40  1349.27  1397.44
                             1437.17  1491.90  1562.22  1673.39  1726.68
                             1733.18  1753.02  1846.04  1948.53  1971.73
                             2018.23  2024.15  2033.62  2054.87  2139.90
                             2155.89  2171.06  2175.69  2383.62  2640.19
                             4345.44  4352.30  4374.34  4402.12  4431.13
                             4444.13  4454.98  4471.68  4938.66  5051.17
                             5171.10
 
 Zero-point correction=                           0.164740 (Hartree/Particle)
 Thermal correction to Energy=                    0.173945
 Thermal correction to Enthalpy=                  0.174889
 Thermal correction to Gibbs Free Energy=         0.130814
 Sum of electronic and zero-point Energies=           -402.407876
 Sum of electronic and thermal Energies=              -402.398672
 Sum of electronic and thermal Enthalpies=            -402.397727
 Sum of electronic and thermal Free Energies=         -402.441803
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.152             33.640             92.764
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.435
 Vibrational            107.374             27.678             24.141
 Vibration     1          0.596              1.975              4.569
 Vibration     2          0.600              1.961              3.814
 Vibration     3          0.631              1.861              2.283
 Vibration     4          0.649              1.805              1.927
 Vibration     5          0.661              1.768              1.755
 Vibration     6          0.674              1.727              1.592
 Vibration     7          0.687              1.688              1.462
 Vibration     8          0.700              1.652              1.354
 Vibration     9          0.737              1.547              1.107
 Vibration    10          0.777              1.440              0.913
 Vibration    11          0.875              1.205              0.609
 Vibration    12          0.900              1.150              0.554
 Vibration    13          0.967              1.015              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.676033D-60        -60.170032       -138.546620
 Total V=0       0.402948D+16         15.605249         35.932415
 Vib (Bot)       0.371399D-73        -73.430160       -169.079191
 Vib (Bot)    1  0.364411D+01          0.561592          1.293113
 Vib (Bot)    2  0.247351D+01          0.393314          0.905638
 Vib (Bot)    3  0.108744D+01          0.036404          0.083822
 Vib (Bot)    4  0.881852D+00         -0.054604         -0.125731
 Vib (Bot)    5  0.792745D+00         -0.100867         -0.232254
 Vib (Bot)    6  0.713606D+00         -0.146542         -0.337424
 Vib (Bot)    7  0.653910D+00         -0.184482         -0.424786
 Vib (Bot)    8  0.606423D+00         -0.217224         -0.500178
 Vib (Bot)    9  0.503089D+00         -0.298355         -0.686988
 Vib (Bot)   10  0.426228D+00         -0.370358         -0.852782
 Vib (Bot)   11  0.310171D+00         -0.508399         -1.170631
 Vib (Bot)   12  0.289267D+00         -0.538701         -1.240405
 Vib (Bot)   13  0.243510D+00         -0.613482         -1.412595
 Vib (V=0)       0.221372D+03          2.345122          5.399843
 Vib (V=0)    1  0.417826D+01          0.620995          1.429894
 Vib (V=0)    2  0.302354D+01          0.480516          1.106428
 Vib (V=0)    3  0.169688D+01          0.229651          0.528790
 Vib (V=0)    4  0.151374D+01          0.180050          0.414581
 Vib (V=0)    5  0.143725D+01          0.157533          0.362734
 Vib (V=0)    6  0.137134D+01          0.137145          0.315788
 Vib (V=0)    7  0.132316D+01          0.121614          0.280025
 Vib (V=0)    8  0.128597D+01          0.109231          0.251513
 Vib (V=0)    9  0.120929D+01          0.082532          0.190037
 Vib (V=0)   10  0.115702D+01          0.063339          0.145844
 Vib (V=0)   11  0.108839D+01          0.036786          0.084702
 Vib (V=0)   12  0.107765D+01          0.032476          0.074779
 Vib (V=0)   13  0.105615D+01          0.023724          0.054626
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.365557D+06          5.562955         12.809177
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3       33333333                                         1     1 1111111111 11111  1 1                                    
     5  5  4       10000000                                         8     6 5544444433 22221  0 0999 9888  7   6 55   4 3322221      
     9  1  3       09886422                                         3     5 1098210075 81006  8 3973 0741  3   0 42   1 6197428  85  
     4  1  3       86900050                                         5     7 2987837304 38503  6 7918 1701  4   8 50   4 3221744  37  
 
     X  X  X       XXXXXXXX                                         X     X XXXXXXXXXX XXXXX  X XXXX XXXX  X   X XX   X XXXXXXX  XX  
           X        XX                                              X            X               X   XXXX                            
           X                                                        X            X               X   XX                              
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
                                                                    X            X                                                   
                                                                    X            X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015325   -0.000004427    0.000005460
      2        6           0.000011094   -0.000005694    0.000009687
      3        6          -0.000019417   -0.000006989    0.000032086
      4        6           0.000056109    0.000002611   -0.000022541
      5        8          -0.000023973    0.000023698    0.000014541
      6        6           0.000010779    0.000014654   -0.000015470
      7        7          -0.000001345    0.000007251   -0.000005182
      8        8          -0.000013696    0.000007950    0.000012184
      9        1           0.000003608    0.000014301    0.000000578
     10        1           0.000003217   -0.000004792   -0.000010989
     11        1          -0.000002930   -0.000027696   -0.000005252
     12        1           0.000002088   -0.000010682   -0.000013350
     13        1           0.000000380   -0.000004749   -0.000001735
     14        1          -0.000000278    0.000000118    0.000001144
     15        1          -0.000007111   -0.000003138   -0.000002317
     16        1           0.000000880   -0.000000492   -0.000003591
     17        1          -0.000001770   -0.000004311    0.000003105
     18        1          -0.000000908    0.000001860   -0.000001180
     19        1          -0.000001402    0.000000528    0.000002821
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000056109 RMS     0.000013029
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.863715D+02  0.134313D+00 -0.204767D+01
      2   0.134313D+00  0.802868D+02  0.143893D+01
      3  -0.204767D+01  0.143893D+01  0.704017D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.690139D+00 -0.223891D+00  0.127027D+01
      2   0.294675D+01 -0.828316D+01  0.332553D+02
      3   0.664965D+01 -0.157847D+02  0.885574D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.705995D+02 -0.800335D+01 -0.248028D+01
      2  -0.399083D+02  0.849948D+01 -0.433506D+00
      3  -0.306912D+02 -0.496126D+00  0.291379D+01
      4  -0.434079D+01  0.368396D+02 -0.215119D+02
      5   0.506764D+01 -0.234657D+02  0.732277D+02
      6  -0.929574D+01  0.710200D+01 -0.194518D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.143608D+01  0.395315D+01 -0.223147D+01  0.458022D+01 -0.307765D+01
      2   0.395315D+01 -0.248432D+01 -0.100971D+01 -0.307765D+01 -0.216401D+01
      3  -0.223147D+01 -0.100971D+01  0.624919D+00 -0.857409D+00 -0.206731D+01
                 6             7             8             9            10 
      1  -0.857409D+00 -0.252479D+01 -0.533157D+00 -0.401917D+00  0.247050D+01
      2  -0.206731D+01 -0.533157D+00 -0.208560D+01 -0.311099D+01 -0.343757D+01
      3  -0.274828D+01 -0.401917D+00 -0.311099D+01  0.643267D+01  0.264472D+01
                11            12            13            14            15 
      1  -0.343757D+01  0.264472D+01 -0.462305D+01  0.166285D+01  0.101372D+01
      2   0.191545D+01  0.115701D+01  0.166285D+01  0.265783D+01  0.243148D+01
      3   0.115701D+01 -0.223950D+00  0.101372D+01  0.243148D+01  0.327938D+01
                16            17            18            19            20 
      1   0.304034D+01  0.817735D+00 -0.674700D-01 -0.104589D+01  0.323945D+01
      2   0.817735D+00  0.212264D+01  0.374469D+01  0.323945D+01 -0.723295D+00
      3  -0.674700D-01  0.374469D+01 -0.381710D+01 -0.521993D+00 -0.198216D+00
                21            22            23            24            25 
      1  -0.521993D+00  0.407266D+01  0.137373D+00  0.209823D+00 -0.660652D+00
      2  -0.198216D+00  0.137373D+00 -0.202856D+01 -0.104247D+01  0.785531D+00
      3   0.457739D-01  0.209823D+00 -0.104247D+01 -0.124574D+01  0.180538D+00
                26            27            28            29            30 
      1   0.785531D+00  0.180538D+00 -0.159282D+01 -0.257599D+01 -0.439716D+00
      2  -0.826752D+00 -0.223003D+01 -0.257599D+01  0.416621D+00  0.786686D+00
      3  -0.223003D+01  0.580118D+01 -0.439716D+00  0.786686D+00 -0.102989D+00
                31            32            33            34            35 
      1  -0.143244D+00  0.208586D+01  0.111227D+01 -0.107223D+00  0.135487D+01
      2   0.208586D+01  0.583898D+01  0.170053D+01  0.135487D+01  0.222924D+01
      3   0.111227D+01  0.170053D+01  0.919998D+00  0.423635D+00  0.790636D+00
                36            37            38            39            40 
      1   0.423635D+00 -0.813103D+01  0.152112D+01  0.157277D+01 -0.232369D+01
      2   0.790636D+00  0.152112D+01 -0.213889D+01 -0.652148D+00 -0.389848D+01
      3  -0.183946D-01  0.157277D+01 -0.652148D+00 -0.115713D+01 -0.223950D+00
                41            42            43            44            45 
      1  -0.389848D+01 -0.223950D+00  0.143015D+01 -0.889315D+00 -0.207846D+01
      2  -0.188520D+01 -0.331801D+00 -0.889315D+00 -0.751284D+00  0.649637D+00
      3  -0.331801D+00 -0.981337D-01 -0.207846D+01  0.649637D+00  0.193508D+01
                46            47            48            49            50 
      1   0.219723D+00  0.497757D+01 -0.323192D+01  0.491136D+01 -0.215337D+01
      2   0.497757D+01 -0.236328D+01 -0.707181D+00 -0.215337D+01 -0.155600D+00
      3  -0.323192D+01 -0.707181D+00  0.403988D+00 -0.784997D+00 -0.310618D+01
                51            52            53            54            55 
      1  -0.784997D+00 -0.227905D+01 -0.817417D+00  0.287621D+00 -0.986416D+00
      2  -0.310618D+01 -0.817417D+00 -0.243224D+01 -0.311954D+01 -0.132835D+01
      3  -0.240763D+01  0.287621D+00 -0.311954D+01  0.224283D+01 -0.184087D+00
                56            57            58            59            60 
      1  -0.132835D+01 -0.184087D+00 -0.124790D+01 -0.311845D+01  0.239341D+00
      2  -0.331462D+01  0.265644D+00 -0.311845D+01  0.163192D+01  0.195696D+01
      3   0.265644D+00 -0.212808D+01  0.239341D+00  0.195696D+01  0.533731D-01
                61            62            63            64            65 
      1   0.180151D-01  0.480021D+00 -0.236307D+01 -0.160734D+01 -0.270437D+01
      2   0.480021D+00  0.223372D+01  0.249207D+00 -0.270437D+01 -0.197352D+01
      3  -0.236307D+01  0.249207D+00 -0.238488D+01 -0.100316D+01 -0.925872D+00
                66            67            68            69            70 
      1  -0.100316D+01 -0.440950D+01 -0.257273D+01 -0.734504D+00 -0.157370D+01
      2  -0.925872D+00 -0.257273D+01 -0.119911D+02 -0.233700D+01 -0.777137D+00
      3  -0.553213D+00 -0.734504D+00 -0.233700D+01 -0.274429D+01 -0.119530D+01
                71            72            73            74            75 
      1  -0.777137D+00 -0.119530D+01  0.351417D+00 -0.241796D+00 -0.110246D+01
      2  -0.193115D+01 -0.327794D+01 -0.241796D+00  0.115957D+00  0.584007D-01
      3  -0.327794D+01 -0.260214D+01 -0.110246D+01  0.584007D-01 -0.272662D-01
                76            77            78            79            80 
      1  -0.588667D+00 -0.588048D-01  0.181534D+00 -0.187642D+01 -0.672383D-01
      2  -0.588048D-01  0.148639D+01 -0.127884D+01 -0.672383D-01 -0.171773D+01
      3   0.181534D+00 -0.127884D+01  0.129727D+01 -0.228949D+00  0.187487D+01
                81            82            83            84            85 
      1  -0.228949D+00 -0.134941D+01 -0.425362D+00 -0.110798D+01 -0.104625D+01
      2   0.187487D+01 -0.425362D+00 -0.257773D+00 -0.872863D-01 -0.408314D+00
      3  -0.808278D+01 -0.110798D+01 -0.872863D-01 -0.222465D+00 -0.206045D+00
                86            87            88            89            90 
      1  -0.408314D+00 -0.206045D+00 -0.170626D+01 -0.226491D+00 -0.233214D-01
      2  -0.578635D+01 -0.236256D+01 -0.226491D+00 -0.240553D+01 -0.235202D+01
      3  -0.236256D+01 -0.269409D+01 -0.233214D-01 -0.235202D+01 -0.222976D+01
                91            92            93            94            95 
      1   0.115182D+01  0.202509D+01  0.827343D-01  0.505367D+01  0.439084D+00
      2   0.202509D+01  0.634344D+00  0.232937D+00  0.439084D+00  0.460679D+01
      3   0.827343D-01  0.232937D+00 -0.247740D+00 -0.437957D+00  0.106241D+01
                96            97            98            99           100 
      1  -0.437957D+00  0.799577D+00 -0.367573D-01 -0.793083D+00  0.538884D+00
      2   0.106241D+01 -0.367573D-01  0.940176D+00  0.714445D+00  0.434435D+00
      3   0.117334D+01 -0.793083D+00  0.714445D+00  0.925519D+00  0.113623D+01
               101           102           103           104           105 
      1   0.434435D+00  0.113623D+01  0.250457D+00  0.623575D+00  0.620786D-01
      2   0.113676D+01  0.338405D+00  0.623575D+00  0.309556D+00  0.827520D+00
      3   0.338405D+00  0.170139D+01  0.620786D-01  0.827520D+00  0.140441D+00
               106           107           108           109           110 
      1   0.226780D+01 -0.381650D-01  0.185620D+01  0.118017D+01  0.184653D+01
      2  -0.381650D-01  0.220891D+01  0.894316D+00  0.184653D+01  0.307968D+01
      3   0.185620D+01  0.894316D+00  0.502733D+01 -0.319800D+00 -0.500803D+00
               111           112           113           114           115 
      1  -0.319800D+00  0.255650D+01  0.262016D+01 -0.555085D+00 -0.119141D+01
      2  -0.500803D+00  0.262016D+01  0.656187D+01 -0.124526D+01 -0.102004D+01
      3   0.627784D+00 -0.555085D+00 -0.124526D+01  0.129008D+01  0.698610D+00
               116           117           118           119           120 
      1  -0.102004D+01  0.698610D+00 -0.473916D+01 -0.204824D+01  0.182605D+01
      2  -0.290317D+01  0.152171D+01 -0.204824D+01 -0.171873D+01  0.136027D+01
      3   0.152171D+01 -0.116559D+01  0.182605D+01  0.136027D+01 -0.270027D+01
               121           122           123           124           125 
      1  -0.220770D+01 -0.112045D+01  0.810511D+00  0.132918D+01  0.823601D+00
      2  -0.112045D+01 -0.213373D+01  0.156822D+01  0.823601D+00  0.113768D+01
      3   0.810511D+00  0.156822D+01 -0.120361D+01 -0.145432D+01 -0.766600D+00
               126           127           128           129           130 
      1  -0.145432D+01  0.470821D+01 -0.333742D+01  0.182405D+01 -0.319080D+01
      2  -0.766600D+00 -0.333742D+01  0.320363D+01 -0.116226D+01  0.286472D+01
      3   0.171461D+01  0.182405D+01 -0.116226D+01  0.175379D+01 -0.950920D+00
               131           132           133           134           135 
      1   0.286472D+01 -0.950920D+00  0.794935D+00 -0.548870D+00  0.106236D+01
      2  -0.410836D+01  0.179128D+01 -0.548870D+00  0.984182D+00 -0.752582D+00
      3   0.179128D+01 -0.124221D+01  0.106236D+01 -0.752582D+00  0.752295D+00
               136           137           138           139           140 
      1   0.811024D+00  0.211120D+00  0.120875D+01  0.890215D+00  0.495775D+00
      2   0.211120D+00  0.808011D+00  0.444545D+00  0.495775D+00  0.334480D+01
      3   0.120875D+01  0.444545D+00  0.991001D+00  0.793460D+00  0.191017D+01
               141           142           143           144           145 
      1   0.793460D+00  0.107780D+01  0.302671D+00  0.724818D+00  0.182093D+00
      2   0.191017D+01  0.302671D+00  0.196554D+01  0.188854D+01 -0.879603D-01
      3   0.348897D+01  0.724818D+00  0.188854D+01  0.396830D+01 -0.839728D+00
               146           147           148           149           150 
      1  -0.879603D-01 -0.839728D+00 -0.434460D-01  0.664897D+00 -0.264916D+00
      2   0.105027D+00  0.119025D+00  0.664897D+00  0.106716D+01 -0.122134D+01
      3   0.119025D+00 -0.510301D-01 -0.264916D+00 -0.122134D+01  0.171902D+01
               151           152           153           154           155 
      1  -0.201234D+01 -0.325514D+00  0.173742D+01  0.140908D+01  0.963268D+00
      2  -0.325514D+00 -0.144723D+01  0.200947D+01  0.963268D+00  0.136717D+01
      3   0.173742D+01  0.200947D+01 -0.906501D+01  0.717840D+00  0.436014D+00
               156           157           158           159           160 
      1   0.717840D+00  0.235598D+01  0.208392D+01  0.273485D+00  0.196998D+01
      2   0.436014D+00  0.208392D+01  0.512808D+01  0.145604D+01  0.816279D+00
      3   0.325555D+00  0.273485D+00  0.145604D+01  0.176878D+01  0.609666D+00
               161           162           163           164           165 
      1   0.816279D+00  0.609666D+00  0.786522D+01 -0.298467D+01 -0.308326D-01
      2   0.218427D+01  0.155108D+01 -0.298467D+01  0.219177D+01  0.445419D-01
      3   0.155108D+01  0.986977D+00 -0.308326D-01  0.445419D-01  0.939937D+00
               166           167           168           169           170 
      1  -0.484682D+01  0.273004D+01  0.319561D+00  0.120408D+01 -0.100602D+00
      2   0.273004D+01 -0.238048D+01  0.288150D+00 -0.100602D+00  0.494336D+00
      3   0.319561D+00  0.288150D+00 -0.746669D+00  0.102503D+01 -0.278903D+00
               171 
      1   0.102503D+01
      2  -0.278903D+00
      3  -0.421131D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.281072D+01  0.240075D+01  0.100436D+01  0.294103D+01  0.217687D+01
      2  -0.781093D+01  0.820118D+00  0.111238D+01  0.178314D+01 -0.870853D+01
      3  -0.114781D+02  0.621327D+01  0.291649D+01  0.132061D+02  0.742230D+01
                 6             7             8             9            10 
      1   0.422182D+00  0.194911D+01  0.433168D+01  0.327375D-01  0.338886D+01
      2  -0.883156D+01 -0.665617D+01 -0.968119D+01  0.183280D+02  0.783663D+01
      3   0.548659D+01  0.807827D+00  0.650933D+01  0.850561D+01  0.385944D+01
                11            12            13            14            15 
      1  -0.627227D+00 -0.684315D-01 -0.457046D+00  0.332581D+01 -0.253946D+01
      2  -0.978654D+00  0.400200D+01 -0.195924D+01  0.432083D+01  0.382760D+01
      3  -0.285824D+01 -0.167690D+01  0.372128D+01 -0.652291D+01 -0.525223D+01
                16            17            18            19            20 
      1   0.783137D-01  0.414179D+01 -0.253492D+01 -0.345002D+01  0.105275D+01
      2  -0.361229D+01  0.432458D+01 -0.347260D+01 -0.177960D+01  0.102569D+01
      3  -0.235100D+01 -0.427462D+01 -0.441934D+01  0.179995D+01 -0.439427D+01
                21            22            23            24            25 
      1  -0.114033D+01  0.529894D+00  0.118631D+01  0.110296D+01 -0.167523D+01
      2   0.101879D+01  0.520780D+01 -0.226251D+01  0.254790D+01 -0.344412D+01
      3   0.757536D+00  0.984952D+00 -0.299834D+01  0.147448D+01 -0.118509D+01
                26            27            28            29            30 
      1   0.556328D+01  0.540566D+00  0.130619D+01  0.100228D+01  0.419564D+00
      2   0.112014D+01 -0.240625D+01 -0.492488D+01  0.609639D+00 -0.484863D+01
      3   0.117318D+01  0.730334D+00 -0.801435D+01  0.391607D+00 -0.114044D+01
                31            32            33            34            35 
      1   0.273613D+01 -0.569553D+01  0.718235D+01  0.123015D+01  0.671102D+01
      2   0.641762D+01  0.253529D+00 -0.255062D+01 -0.178270D+02 -0.259637D+01
      3   0.336732D+00  0.128145D+02  0.142662D+00 -0.273960D+01 -0.614842D-01
                36            37            38            39            40 
      1   0.530113D+01 -0.160916D+01 -0.261520D+01  0.229698D+01 -0.190581D+01
      2   0.353754D+01  0.572025D+00  0.257667D+01  0.893851D+01  0.197453D+01
      3   0.955345D+00 -0.359107D+01 -0.152162D+02 -0.148046D+01 -0.122299D+02
                41            42            43            44            45 
      1  -0.209443D+01 -0.388175D+01  0.146103D+00  0.218762D+01 -0.149129D+01
      2   0.230720D+01  0.106090D+01  0.667092D+01  0.314633D+00 -0.539500D+01
      3  -0.127346D+02 -0.171678D+01 -0.588931D+00 -0.458942D+00  0.866946D+00
                46            47            48            49            50 
      1   0.490351D+01 -0.488674D+01 -0.623826D+00 -0.418136D+01 -0.362658D+01
      2  -0.570418D+01 -0.101024D+02  0.999922D+01 -0.833003D+01 -0.128044D+01
      3  -0.814848D+01 -0.435063D+01  0.521772D+01 -0.809196D+00  0.351615D+01
                51            52            53            54            55 
      1  -0.123776D+02 -0.121220D+01 -0.716701D+01 -0.210629D+01  0.846252D+00
      2  -0.283681D+01  0.264982D+01 -0.312714D+01  0.157229D+01  0.630314D+00
      3   0.534182D+01  0.402834D+01  0.505071D+01  0.398388D+01 -0.339445D+01
                56            57            58            59            60 
      1  -0.363307D+01  0.652157D+01 -0.385237D+01 -0.762155D+01 -0.458346D+01
      2   0.189753D+01  0.626922D+01 -0.530855D+00  0.405136D+00 -0.149125D+01
      3  -0.109318D+02 -0.199251D+01  0.133891D+01 -0.389172D+01  0.195225D+01
                61            62            63            64            65 
      1   0.702153D+01  0.462132D+01  0.536487D+01  0.235873D+00  0.109103D+01
      2  -0.176329D+01 -0.117040D+01  0.216353D+01  0.125841D+01  0.398634D+00
      3   0.506177D+00  0.404133D+01 -0.592290D+01 -0.963538D+00 -0.509427D+01
                66            67            68            69            70 
      1  -0.252817D+01  0.158890D+00  0.521331D+01 -0.104465D+02 -0.527350D+00
      2   0.508694D+01 -0.666407D+01  0.139280D+01  0.528991D+01  0.102070D+01
      3  -0.711562D+00  0.952489D+01 -0.201281D+02 -0.227519D+01  0.146333D+01
                71            72            73            74            75 
      1   0.208325D+01 -0.226617D+01  0.656580D+00 -0.502276D+00  0.873425D-01
      2   0.561414D+01  0.306073D+01  0.122798D+01 -0.126903D+00  0.506691D-01
      3  -0.229792D+01 -0.554294D+01  0.565604D+00 -0.334202D+00 -0.567914D+00
                76            77            78            79            80 
      1  -0.289327D+00 -0.183403D+01 -0.668828D+00  0.307202D+00  0.262547D+01
      2  -0.320958D+00  0.455870D+00 -0.313114D+00 -0.367198D+01  0.109967D-01
      3   0.147858D+01  0.398693D+00 -0.271239D+00 -0.971432D+00 -0.546065D+00
                81            82            83            84            85 
      1   0.203856D+01 -0.955109D+00  0.108904D+00 -0.239382D+00 -0.155797D+00
      2   0.907699D+00 -0.298188D+01 -0.273707D+00 -0.221898D+00 -0.174670D+01
      3  -0.172592D-01  0.299110D+01  0.609741D+00  0.120847D+01  0.479814D+01
                86            87            88            89            90 
      1   0.989229D+00 -0.321067D+01  0.448625D-01  0.603401D+00 -0.101257D+01
      2  -0.277901D+01 -0.317054D+01 -0.291579D+01 -0.265944D+01 -0.244141D+01
      3   0.784027D+01  0.351693D+01  0.265765D+01  0.340218D+01  0.316476D+01
                91            92            93            94            95 
      1   0.135729D+01  0.169635D+01  0.133627D+01  0.194302D+01  0.248218D+01
      2  -0.245812D+01 -0.219582D+01 -0.167338D+01 -0.255424D+01 -0.449685D+01
      3   0.617625D+01  0.879422D+01  0.893601D+00  0.131074D+02  0.179792D+02
                96            97            98            99           100 
      1  -0.449551D+00  0.141095D+01  0.166667D+01 -0.253177D+00 -0.321220D+01
      2  -0.378062D+01 -0.218476D+01 -0.257964D+01 -0.132517D+01 -0.192342D+01
      3   0.322892D+01  0.152050D+01  0.258408D+01  0.398493D+00  0.224149D+01
               101           102           103           104           105 
      1   0.123626D+01 -0.532540D+01  0.110727D+01 -0.239496D+01  0.369179D+00
      2   0.578985D-03 -0.102461D+01  0.305985D+00 -0.110545D+01  0.740520D+00
      3  -0.102961D+00  0.280529D+01  0.519446D+00  0.131842D+01 -0.314453D-02
               106           107           108           109           110 
      1  -0.605204D+01  0.140811D+01 -0.117421D+02  0.128975D+01  0.261192D+01
      2  -0.412860D+01  0.615009D+00 -0.232628D+01  0.392185D+00 -0.336585D+00
      3   0.589188D+01 -0.625378D+00  0.512232D+01  0.431186D+01  0.368120D+01
               111           112           113           114           115 
      1  -0.264829D+01  0.309051D+01  0.511795D+01 -0.427555D+01 -0.261935D+01
      2   0.202639D+00 -0.298324D+00 -0.320991D+00  0.562171D+00 -0.981608D+00
      3  -0.102408D+01  0.850590D+01  0.658746D+01 -0.200568D+01 -0.418956D+01
               116           117           118           119           120 
      1  -0.355392D+01  0.302336D+01 -0.171959D+01 -0.222580D+01 -0.172018D+01
      2   0.174881D+00 -0.221293D+00  0.120446D+02  0.472725D+01 -0.374649D+01
      3  -0.320149D+01  0.210364D+01  0.980790D+01  0.293457D+01 -0.317376D+01
               121           122           123           124           125 
      1  -0.132842D+01 -0.148749D+01  0.975281D-02 -0.485023D+00  0.218401D+01
      2   0.513412D+01  0.341408D+01 -0.190486D+01 -0.524929D+01 -0.216533D+01
      3   0.562647D+01  0.305969D+01 -0.260205D+01 -0.253771D+01 -0.156655D+01
               126           127           128           129           130 
      1   0.694691D+00 -0.313493D+01  0.437400D+01  0.155824D+01  0.328475D+01
      2   0.347979D+01 -0.482343D+01  0.316647D+01  0.221998D+01  0.430904D+01
      3   0.267955D+01 -0.126262D+01 -0.278112D+01  0.208256D-01  0.155577D+01
               131           132           133           134           135 
      1  -0.401727D+01 -0.570494D+00  0.135144D+00  0.188257D+01 -0.204439D+00
      2  -0.168723D+01 -0.124692D+01 -0.132450D+01  0.183129D+00 -0.210453D+00
      3   0.334792D+01 -0.157583D+01 -0.621302D+00 -0.111010D+01 -0.222706D+00
               136           137           138           139           140 
      1   0.163819D+01  0.193834D+01  0.142799D+01  0.927395D+00  0.110929D+02
      2   0.428832D+00  0.205188D+00  0.526548D+00 -0.164131D+01  0.258932D+01
      3  -0.439839D+00 -0.208999D+01 -0.162361D+01  0.653065D+00 -0.699167D+01
               141           142           143           144           145 
      1   0.492642D+01  0.131744D+01  0.802670D+01  0.655418D+01  0.172338D+00
      2   0.414165D+01 -0.227553D+01  0.203814D+01  0.435029D+01 -0.255115D+01
      3  -0.319970D+01 -0.794955D+00 -0.345661D+01 -0.340175D+01  0.263274D+00
               146           147           148           149           150 
      1   0.396998D-01 -0.102323D+00 -0.318212D+00 -0.134290D+01 -0.435183D+00
      2  -0.621940D-01  0.250358D+00 -0.671541D-02 -0.220515D+01  0.467819D+01
      3  -0.938229D+00 -0.286130D+00 -0.449988D+00 -0.289307D+01  0.280172D+01
               151           152           153           154           155 
      1  -0.875453D-01  0.356929D+01  0.810462D+00 -0.105875D+01 -0.133556D+01
      2  -0.909263D+00  0.510725D+01 -0.224642D+02  0.330060D+01  0.193272D+01
      3  -0.266330D+00  0.409218D+01 -0.526348D+01 -0.307221D+01 -0.435367D+01
               156           157           158           159           160 
      1  -0.996675D+00 -0.141952D+01 -0.404891D+01 -0.407130D+01 -0.901273D+00
      2   0.215185D+01  0.169313D+01  0.652821D+01  0.634706D+01  0.910996D+00
      3  -0.898202D+00 -0.223913D+01 -0.159378D+02 -0.492915D+01 -0.637437D+00
               161           162           163           164           165 
      1  -0.950633D+00 -0.227210D+01  0.215564D+01 -0.172640D+01  0.740675D+00
      2   0.509795D+01  0.392678D+01  0.624213D+01 -0.256422D+01  0.488694D+01
      3  -0.732772D+01 -0.445488D+01  0.827902D+01 -0.932266D+01  0.362967D-01
               166           167           168           169           170 
      1  -0.178714D+01  0.185904D+01 -0.170362D+01 -0.120260D-01  0.208992D+00
      2  -0.277292D+01  0.317917D+01 -0.306961D+01  0.250489D+01 -0.686490D+00
      3  -0.644253D+01  0.787871D+01 -0.113966D+01  0.764988D-02 -0.192610D+01
               171 
      1   0.241836D+00
      2  -0.387414D-01
      3   0.734369D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.113857D+02  0.240679D+02 -0.112191D+02  0.287008D+02 -0.162581D+02
      2   0.284296D+01 -0.133514D+02  0.516275D+01 -0.157195D+02  0.253089D+01
      3   0.854271D+01 -0.107165D+02  0.605636D+01 -0.129814D+02  0.137272D+02
      4   0.263604D+02 -0.141572D+02 -0.496988D+01 -0.208835D+02 -0.110669D+02
      5  -0.982509D+01 -0.792124D+01  0.404386D+01 -0.941433D+01 -0.949997D+01
      6  -0.459278D+01  0.188320D+01  0.128593D+00  0.169273D+01 -0.868034D+00
                 6             7             8             9            10 
      1  -0.813366D+01 -0.143290D+02 -0.579557D+01  0.112923D+02 -0.558072D+01
      2  -0.290056D+01  0.382234D+01 -0.479010D+01  0.774932D+01  0.126548D+01
      3   0.110342D+02  0.105067D+02  0.105857D+02 -0.190416D+02  0.431524D+01
      4  -0.111047D+02 -0.403227D+01 -0.128878D+02 -0.128258D+02 -0.114268D+02
      5  -0.130053D+02 -0.112320D+00 -0.137315D+02  0.272952D+02  0.106271D+02
      6  -0.580975D+00 -0.104718D+01 -0.505588D+00  0.583106D+01 -0.485334D+01
                11            12            13            14            15 
      1  -0.986657D+01  0.964057D+01 -0.135822D+02  0.105345D+02  0.693129D+01
      2   0.456174D+01 -0.670400D+01  0.714833D+01 -0.885528D+01 -0.101003D+02
      3   0.530484D+01 -0.293657D+01  0.643389D+01 -0.167922D+01  0.316905D+01
      4   0.477302D+01  0.161167D+01  0.102671D+02  0.586947D+01  0.559769D+01
      5   0.326994D+01 -0.790742D+00  0.631173D+01  0.624406D+01  0.746500D+01
      6   0.106956D+01 -0.862084D+00  0.902392D+00 -0.105538D+02 -0.357637D+01
                16            17            18            19            20 
      1   0.128496D+02  0.571553D+01  0.445091D+01 -0.700858D+01 -0.124083D+01
      2  -0.626263D+01 -0.421773D+01 -0.538907D+01  0.931001D+01  0.141860D+01
      3  -0.658698D+01 -0.149780D+01  0.938161D+00 -0.230144D+01 -0.177769D+00
      4   0.428898D+01  0.552362D+01  0.866783D+01 -0.598500D+00  0.368825D+01
      5  -0.314742D-01  0.859561D+01 -0.944775D+01 -0.240583D+01 -0.831521D-01
      6   0.633701D+00 -0.566177D+01  0.424062D+00  0.358279D+01 -0.230700D+01
                21            22            23            24            25 
      1  -0.287038D+00  0.719081D+01  0.335579D+01 -0.175110D+01 -0.468089D+01
      2   0.216800D+01 -0.293398D+01 -0.538458D+01 -0.283704D+01  0.308616D+01
      3  -0.188096D+01 -0.425683D+01  0.202879D+01  0.458813D+01  0.159474D+01
      4   0.112670D+01 -0.719764D+01  0.582908D+01  0.819519D+00 -0.426802D+01
      5   0.442460D+00 -0.261872D+01  0.316746D+00  0.313032D+01 -0.983786D+00
      6   0.104569D+01 -0.986328D+00  0.114635D+01 -0.536859D+01 -0.909414D+00
                26            27            28            29            30 
      1  -0.177424D+01  0.101591D+02 -0.721046D+01  0.123693D+02  0.271154D+01
      2  -0.805419D+01  0.835364D+01  0.853357D+00 -0.950566D+01 -0.649548D+01
      3   0.982843D+01 -0.185127D+02  0.635710D+01 -0.286366D+01  0.378393D+01
      4   0.628203D+00  0.157040D-01  0.736649D+01 -0.912452D+01 -0.348755D+01
      5  -0.148292D+01  0.892684D+00  0.395127D+01 -0.369230D+01 -0.779228D+01
      6  -0.305980D+01  0.947139D+01 -0.162642D+01 -0.223125D+01 -0.937071D+00
                31            32            33            34            35 
      1   0.128201D+01  0.729516D+01  0.301303D+01  0.381695D+01 -0.183840D+01
      2  -0.410190D+01 -0.169912D+02  0.485733D+01 -0.460120D+01 -0.216664D+01
      3   0.281989D+01  0.969606D+01 -0.787036D+01  0.784252D+00  0.400504D+01
      4  -0.200324D+02 -0.241581D+02 -0.571838D+01 -0.103817D+02 -0.251232D+01
      5  -0.100895D+02 -0.771931D+01 -0.528662D+01 -0.588195D+00 -0.377193D+01
      6  -0.360909D+01 -0.899200D+01 -0.112597D+02 -0.310874D+01  0.148038D+01
                36            37            38            39            40 
      1  -0.438485D+01  0.505768D+02 -0.766509D+01 -0.556678D+01  0.737418D+01
      2  -0.279632D+01 -0.300542D+02  0.134394D+01  0.662868D+01 -0.824209D+01
      3   0.718117D+01 -0.205227D+02  0.632115D+01 -0.106190D+01  0.867917D+00
      4  -0.454132D+01 -0.178213D+02  0.167939D+02  0.283336D+01  0.170597D+02
      5   0.422873D+01 -0.974149D+01  0.200490D+01  0.163697D+02  0.277280D+00
      6  -0.723458D+01 -0.675656D+00 -0.504173D+00 -0.304617D+01 -0.171005D+01
                41            42            43            44            45 
      1   0.122401D+02 -0.284908D+00 -0.330925D+01  0.305581D+01  0.643074D+01
      2  -0.542845D+01 -0.166005D+01  0.307858D+01 -0.203178D+01 -0.102363D+02
      3  -0.681168D+01  0.194496D+01  0.230675D+00 -0.102403D+01  0.380551D+01
      4  -0.658732D-01 -0.526730D+00  0.455637D+01 -0.820713D+00 -0.354591D+01
      5  -0.279559D+00 -0.614013D+00  0.156603D+02 -0.385283D+01 -0.119359D+02
      6  -0.102354D+01  0.644211D+01 -0.123074D+01  0.471470D+01  0.179987D+01
                46            47            48            49            50 
      1   0.793946D+01  0.146024D+02 -0.100202D+02  0.136452D+02 -0.292851D+01
      2  -0.908719D+01 -0.829080D+00  0.579846D+01  0.545619D-01  0.602939D+01
      3   0.114773D+01 -0.137733D+02  0.422178D+01 -0.136998D+02 -0.310088D+01
      4   0.124559D+02 -0.179728D+02  0.615097D+01 -0.184246D+02  0.423683D+01
      5  -0.686369D+01  0.100372D+02 -0.607383D+01  0.851679D+01 -0.132676D+02
      6   0.170651D+02 -0.552436D+01 -0.335144D+01 -0.593067D+01  0.228887D+01
                51            52            53            54            55 
      1   0.320899D+01 -0.824498D+01  0.204892D+01 -0.570397D+01  0.155330D+02
      2   0.127126D+02  0.445821D+01  0.935849D+01  0.204733D+01 -0.121162D+02
      3  -0.159215D+02  0.378677D+01 -0.114074D+02  0.365663D+01 -0.341677D+01
      4  -0.871587D+01  0.350325D+01 -0.585581D+01 -0.914640D+01 -0.217874D+01
      5  -0.101006D+02 -0.689433D+01 -0.105134D+02  0.551396D+01 -0.101129D+01
      6  -0.812533D+01 -0.339267D+01 -0.570390D+01 -0.105160D+02 -0.631478D+00
                56            57            58            59            60 
      1   0.919239D+01  0.342022D+00  0.564323D+01 -0.818906D+01 -0.617453D+01
      2  -0.163436D+02  0.358190D+01 -0.128172D+02  0.953067D+01  0.957559D+01
      3   0.715121D+01 -0.392392D+01  0.717396D+01 -0.134161D+01 -0.340106D+01
      4  -0.309118D+01 -0.130846D+01  0.204427D+01 -0.132121D+02  0.279830D+00
      5   0.256046D+00  0.239232D+01  0.896490D+00 -0.513177D+00 -0.239962D+01
      6   0.169639D+01 -0.875641D+01  0.180710D+01  0.125897D+02  0.546017D+01
                61            62            63            64            65 
      1  -0.247693D+01 -0.694123D+01  0.144297D+01  0.105585D+02  0.529085D+01
      2   0.685923D+01  0.136266D+02  0.329094D+00 -0.238263D+01  0.153432D+01
      3  -0.438230D+01 -0.668540D+01 -0.177207D+01 -0.817590D+01 -0.682517D+01
      4   0.425583D+00  0.122217D+01 -0.808441D+01  0.158966D+02  0.191474D+02
      5   0.294001D+01 -0.161784D+01 -0.387602D+01  0.680859D+01  0.579603D+01
      6  -0.860810D+01  0.870669D+00 -0.512541D+01  0.347996D+01  0.322495D+01
                66            67            68            69            70 
      1   0.114946D+01  0.908166D+01 -0.214993D+02 -0.629647D+01  0.319286D+01
      2  -0.970093D+00  0.152924D+01  0.401028D+02  0.173144D+01 -0.100011D+01
      3  -0.179366D+00 -0.106109D+02 -0.186034D+02  0.456503D+01 -0.219275D+01
      4   0.497326D+01  0.251242D+02  0.456914D+02  0.961464D+01  0.585232D+01
      5   0.954347D+01  0.707800D+01  0.114982D+02  0.114755D+02  0.104665D+02
      6   0.437987D+01  0.572116D+01  0.136110D+02  0.173848D+02  0.535704D+01
                71            72            73            74            75 
      1  -0.458850D+01 -0.588803D+01  0.851001D+00  0.616078D+00 -0.358343D+00
      2   0.259748D+01  0.291634D+00 -0.374788D+01 -0.587553D+00 -0.358966D+00
      3   0.199102D+01  0.559639D+01  0.289688D+01 -0.285245D-01  0.717308D+00
      4   0.688040D+01  0.126199D+02 -0.281564D+00  0.166505D+01 -0.188747D+01
      5   0.129304D+02  0.103713D+02  0.212903D+00 -0.130754D+01  0.544046D+01
      6   0.143025D+02  0.977306D+01 -0.212938D+01  0.875697D+00 -0.236368D-01
                76            77            78            79            80 
      1   0.230651D+00 -0.536673D+01  0.352922D+01  0.685951D+00  0.562710D+01
      2   0.295360D+00  0.174231D+01 -0.737366D+00  0.326673D+00  0.543585D+00
      3  -0.526010D+00  0.362442D+01 -0.279185D+01 -0.101262D+01 -0.617069D+01
      4   0.260735D+01 -0.100818D+01  0.462836D+00 -0.428649D+00  0.931842D+00
      5  -0.434765D+00  0.186315D-01 -0.468958D+00  0.530390D+01  0.204639D+00
      6   0.919408D+00 -0.423782D+01  0.860262D+01  0.344540D+00  0.771547D+01
                81            82            83            84            85 
      1  -0.189580D+02 -0.479671D+00 -0.131545D+01 -0.291874D+01 -0.302893D+01
      2  -0.131998D+02  0.242313D+01  0.115680D+01  0.213540D+01  0.233760D+01
      3   0.321578D+02 -0.194346D+01  0.158648D+00  0.783337D+00  0.691324D+00
      4  -0.484843D+00 -0.108492D+00  0.288245D+01  0.126517D+01  0.242938D+01
      5   0.104778D+01 -0.199589D+01  0.122845D+01  0.178522D+01  0.107861D+01
      6  -0.138444D+02  0.293158D+01  0.638260D+00  0.729923D+00  0.566221D+00
                86            87            88            89            90 
      1  -0.137645D+02 -0.520173D+01 -0.431140D+01 -0.638164D+01 -0.741872D+01
      2   0.181869D+02  0.702845D+01  0.238727D+01  0.452466D+01  0.247850D+01
      3  -0.442235D+01 -0.182672D+01  0.192413D+01  0.185698D+01  0.494022D+01
      4  -0.116709D+02 -0.474737D+01 -0.504104D-01 -0.510857D+01 -0.444307D+01
      5  -0.472311D+01 -0.640836D+01  0.261766D+01 -0.474309D+01 -0.408923D+01
      6   0.124253D+02  0.100094D+02  0.888732D+00  0.104678D+02  0.942163D+01
                91            92            93            94            95 
      1  -0.107775D+02 -0.455367D+01 -0.699875D-01 -0.180913D+02 -0.614196D+01
      2   0.999437D+01  0.166001D+01  0.153066D+00  0.105738D+02  0.907495D+01
      3   0.783076D+00  0.289367D+01 -0.830783D-01  0.751744D+01 -0.293298D+01
      4  -0.472180D+01  0.617236D+00  0.918038D-01  0.735802D+01 -0.169983D+02
      5   0.569887D+00  0.518927D+00 -0.138705D+01  0.310111D+01 -0.335129D+01
      6   0.987500D+00 -0.367893D+00 -0.190956D+01 -0.823112D+00  0.301849D+01
                96            97            98            99           100 
      1   0.833576D-02 -0.196432D+01 -0.143868D+01 -0.634622D+00 -0.963966D+00
      2   0.616276D+00  0.163943D+01  0.117342D+01 -0.460992D+00 -0.643851D-01
      3  -0.624611D+00  0.324895D+00  0.265256D+00  0.109561D+01  0.102835D+01
      4  -0.436975D+01  0.108982D+01 -0.333604D+01 -0.368076D+01  0.186390D+01
      5  -0.567738D+01  0.384189D+01 -0.310970D+01 -0.308261D+01  0.223706D+01
      6   0.206860D+01 -0.197876D+01  0.297369D+01  0.186782D+01  0.354255D+01
               101           102           103           104           105 
      1  -0.269617D+01 -0.165782D+01 -0.230172D+00 -0.199866D+01 -0.151843D+01
      2   0.408093D+01 -0.570178D+00  0.129230D+01  0.177641D+01  0.214113D+01
      3  -0.138475D+01  0.222800D+01 -0.106213D+01  0.222245D+00 -0.622700D+00
      4   0.372174D+01  0.327634D+01  0.300189D+01  0.155290D+01  0.179925D+01
      5   0.947994D+00  0.364577D+01  0.459823D+00  0.192024D+01  0.885315D+00
      6   0.289850D+01  0.642058D+01  0.217844D+01  0.167786D+01  0.351046D+01
               106           107           108           109           110 
      1  -0.164494D+01 -0.490436D+01 -0.809373D+01 -0.236975D+01 -0.735290D+01
      2  -0.229412D+01  0.539968D+01 -0.423669D+01  0.692884D+01  0.149501D+02
      3   0.393907D+01 -0.495321D+00  0.123304D+02 -0.455909D+01 -0.759725D+01
      4   0.579486D+01  0.251372D+01  0.517486D+01  0.518842D+01  0.994418D+01
      5   0.390227D+01  0.720963D+00  0.500165D+01 -0.140068D+01 -0.115618D+01
      6   0.569132D+01  0.631291D+01  0.164780D+02 -0.260072D+01 -0.373960D+01
               111           112           113           114           115 
      1   0.508505D+00 -0.605925D+01 -0.179831D+02  0.354121D+01  0.273136D+01
      2  -0.263578D+01  0.121253D+02  0.336842D+02 -0.707705D+01 -0.465850D+01
      3   0.212727D+01 -0.606606D+01 -0.157011D+02  0.353584D+01  0.192714D+01
      4  -0.190848D+01  0.972889D+01  0.113073D+02 -0.315337D+01 -0.330596D+01
      5   0.199259D+01  0.885705D-02 -0.145567D+01  0.838724D+00  0.183824D+01
      6   0.319024D+01 -0.379904D+01 -0.900981D+01  0.643053D+01  0.412865D+01
               116           117           118           119           120 
      1   0.806567D+01 -0.500322D+01 -0.987248D+01 -0.940996D+01  0.109952D+02
      2  -0.131098D+02  0.617295D+01  0.551354D+01  0.620686D+01 -0.129140D+01
      3   0.504413D+01 -0.116973D+01  0.435894D+01  0.320310D+01 -0.970379D+01
      4  -0.447746D+01  0.342835D+01  0.709406D+01  0.423436D+01 -0.248944D+01
      5   0.163027D+01 -0.101421D+01 -0.942378D+01 -0.402622D+01  0.313233D+01
      6   0.101969D+02 -0.631800D+01 -0.816297D+01 -0.797283D+01  0.869728D+01
               121           122           123           124           125 
      1  -0.818017D+01 -0.891558D+01  0.657045D+01  0.712897D+01  0.532625D+01
      2   0.554628D+01  0.790147D+01 -0.384642D+01 -0.650635D+00 -0.248008D+01
      3   0.263389D+01  0.101412D+01 -0.272403D+01 -0.647834D+01 -0.284617D+01
      4   0.580389D+01  0.848584D+00  0.240874D+00 -0.211355D+01 -0.567023D+00
      5  -0.469078D+01 -0.397896D+00  0.135657D+01  0.523879D+01  0.231635D+01
      6  -0.507840D+01 -0.881249D+01  0.835066D+01  0.598450D+01  0.698777D+01
               126           127           128           129           130 
      1  -0.842462D+01  0.166730D+02 -0.733693D+01  0.218876D+01 -0.706462D+01
      2  -0.649082D+00 -0.403971D+01 -0.282308D+01 -0.308061D+01 -0.308706D+01
      3   0.907370D+01 -0.126333D+02  0.101600D+02  0.891855D+00  0.101517D+02
      4   0.279853D+01 -0.230320D+02  0.204961D+02 -0.802667D+01  0.196060D+02
      5  -0.290595D+01  0.171468D+02 -0.119108D+02  0.119822D+02 -0.109910D+02
      6  -0.632747D+01 -0.110262D+02  0.108272D+02 -0.699375D+01  0.904600D+01
               131           132           133           134           135 
      1  -0.620983D+00  0.145454D+01  0.432160D+00  0.911774D+00  0.436481D+00
      2   0.106575D+02 -0.184282D+01 -0.215139D+01  0.354071D-01 -0.166534D+01
      3  -0.100365D+02  0.388279D+00  0.171923D+01 -0.947181D+00  0.122886D+01
      4  -0.218194D+02  0.789152D+01 -0.375505D+01  0.420543D+01 -0.533856D+01
      5   0.114107D+02 -0.674380D+01  0.856525D+01 -0.516499D+01  0.568415D+01
      6  -0.135306D+02  0.972398D+01 -0.514634D+01  0.749257D+01 -0.439328D+01
               136           137           138           139           140 
      1   0.145440D+01  0.831427D+00  0.250090D+01  0.230535D+01 -0.222430D+01
      2  -0.316259D+01 -0.281292D+01 -0.458668D+01 -0.441676D+01 -0.376601D+01
      3   0.170819D+01  0.198150D+01  0.208578D+01  0.211141D+01  0.599031D+01
      4   0.115448D+01  0.522339D+01  0.793695D+00  0.431082D+01  0.807909D+01
      5   0.607235D+01  0.260672D+01  0.842301D+01  0.569461D+01  0.773201D+01
      6   0.384083D+00  0.299217D+01  0.144872D+01  0.219999D+01  0.114067D+02
               141           142           143           144           145 
      1  -0.521903D+01  0.184283D+01 -0.304078D+01 -0.756319D+01  0.146169D+01
      2  -0.997263D+01 -0.421308D+01 -0.676127D+01 -0.129037D+02 -0.317824D+01
      3   0.151917D+02  0.237025D+01  0.980206D+01  0.204669D+02  0.171655D+01
      4   0.574895D+01  0.310651D+00  0.505613D+01  0.517518D+01 -0.718080D+00
      5   0.121173D+02  0.739161D+01  0.647804D+01  0.132070D+02 -0.405580D+01
      6   0.755864D+01  0.135401D+01  0.880212D+01  0.655967D+01 -0.763411D+00
               146           147           148           149           150 
      1  -0.586591D+00 -0.555359D+01 -0.839119D+00 -0.677202D+00  0.280251D+01
      2   0.331831D+00  0.266440D+01  0.160075D-01 -0.764510D+00  0.167951D+01
      3   0.254760D+00  0.288920D+01  0.823112D+00  0.144171D+01 -0.448202D+01
      4   0.236815D+01 -0.105179D+01  0.520207D+01  0.519284D+01 -0.559317D+01
      5  -0.794956D+00  0.615446D+01 -0.202048D+01 -0.535693D+01  0.884327D+01
      6  -0.785733D-01  0.291111D+00 -0.147497D+01 -0.348751D+01  0.798762D+01
               151           152           153           154           155 
      1  -0.833061D+01  0.298006D+01 -0.129574D+02  0.994591D+01  0.491882D+01
      2   0.840322D+01  0.184039D+01 -0.190596D+02 -0.206899D+01  0.787697D-01
      3  -0.726106D-01 -0.482045D+01  0.320170D+02 -0.787692D+01 -0.499759D+01
      4  -0.282443D+01 -0.681499D+01  0.850134D+01  0.637463D+01  0.118685D+02
      5   0.146810D+02  0.926028D+01 -0.431846D+02  0.333549D+01  0.307548D+01
      6   0.998420D+00  0.743903D+01 -0.813328D+01  0.119126D+01 -0.411439D+00
               156           157           158           159           160 
      1   0.405463D+01  0.105319D+02  0.548148D+01  0.156115D+01  0.104552D+02
      2  -0.104669D+01 -0.201689D+01  0.947120D+01  0.354852D+01 -0.425841D+01
      3  -0.300793D+01 -0.851499D+01 -0.149527D+02 -0.510967D+01 -0.619676D+01
      4   0.399625D+01  0.167688D+02  0.292818D+02  0.812104D+01  0.676977D+01
      5   0.299945D+01  0.181991D+01  0.782564D+01  0.102426D+02  0.442168D+01
      6   0.519817D+00 -0.256982D+00  0.548540D+00  0.348754D+01  0.158185D+01
               161           162           163           164           165 
      1   0.293915D+01 -0.370474D-01  0.558170D+02 -0.196859D+02  0.829856D+00
      2   0.278898D+01 -0.179496D+00 -0.268107D+02  0.883982D+01  0.812321D+00
      3  -0.572813D+01  0.216544D+00 -0.290062D+02  0.108461D+02 -0.164218D+01
      4   0.122091D+02  0.832604D+01 -0.227334D+02  0.172087D+02  0.449426D+00
      5   0.869979D+01  0.616302D+01 -0.628558D+01  0.258960D+01  0.809837D+01
      6   0.334936D+01  0.224666D+01  0.389753D+01 -0.296883D+01 -0.971694D+00
               166           167           168           169           170 
      1  -0.289996D+02  0.141365D+02  0.999855D+00  0.752162D+01 -0.926126D+00
      2   0.125956D+02 -0.244956D+01 -0.997964D+00 -0.260592D+01  0.763572D+00
      3   0.164040D+02 -0.116870D+02 -0.189089D-02 -0.491570D+01  0.162555D+00
      4   0.215973D+02 -0.177554D+02  0.130550D+01 -0.143159D+01  0.321011D+01
      5   0.501637D+01 -0.401731D+00 -0.564984D+01  0.811254D+01 -0.271377D+01
      6  -0.341245D+01  0.324174D+01  0.229563D+01 -0.140651D+01  0.211187D+01
               171 
      1   0.392036D+01
      2  -0.358052D+01
      3  -0.339847D+00
      4  -0.261661D+01
      5  -0.191692D+01
      6  -0.541779D+00
 Leave Link  716 at Thu Aug 12 20:41:12 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.863715D+02  0.134313D+00 -0.204767D+01
      2   0.134313D+00  0.802868D+02  0.143893D+01
      3  -0.204767D+01  0.143893D+01  0.704017D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.690139D+00 -0.223891D+00  0.127027D+01
      2   0.294675D+01 -0.828316D+01  0.332553D+02
      3   0.664965D+01 -0.157847D+02  0.885574D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.705995D+02 -0.800335D+01 -0.248028D+01
      2  -0.399083D+02  0.849948D+01 -0.433506D+00
      3  -0.306912D+02 -0.496126D+00  0.291379D+01
      4  -0.434079D+01  0.368396D+02 -0.215119D+02
      5   0.506764D+01 -0.234657D+02  0.732277D+02
      6  -0.929574D+01  0.710200D+01 -0.194518D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.143608D+01  0.395315D+01 -0.223147D+01  0.458022D+01 -0.307765D+01
      2   0.395315D+01 -0.248432D+01 -0.100971D+01 -0.307765D+01 -0.216401D+01
      3  -0.223147D+01 -0.100971D+01  0.624919D+00 -0.857409D+00 -0.206731D+01
                 6             7             8             9            10 
      1  -0.857409D+00 -0.252479D+01 -0.533157D+00 -0.401917D+00  0.247050D+01
      2  -0.206731D+01 -0.533157D+00 -0.208560D+01 -0.311099D+01 -0.343757D+01
      3  -0.274828D+01 -0.401917D+00 -0.311099D+01  0.643267D+01  0.264472D+01
                11            12            13            14            15 
      1  -0.343757D+01  0.264472D+01 -0.462305D+01  0.166285D+01  0.101372D+01
      2   0.191545D+01  0.115701D+01  0.166285D+01  0.265783D+01  0.243148D+01
      3   0.115701D+01 -0.223950D+00  0.101372D+01  0.243148D+01  0.327938D+01
                16            17            18            19            20 
      1   0.304034D+01  0.817735D+00 -0.674700D-01 -0.104589D+01  0.323945D+01
      2   0.817735D+00  0.212264D+01  0.374469D+01  0.323945D+01 -0.723295D+00
      3  -0.674700D-01  0.374469D+01 -0.381710D+01 -0.521993D+00 -0.198216D+00
                21            22            23            24            25 
      1  -0.521993D+00  0.407266D+01  0.137373D+00  0.209823D+00 -0.660652D+00
      2  -0.198216D+00  0.137373D+00 -0.202856D+01 -0.104247D+01  0.785531D+00
      3   0.457739D-01  0.209823D+00 -0.104247D+01 -0.124574D+01  0.180538D+00
                26            27            28            29            30 
      1   0.785531D+00  0.180538D+00 -0.159282D+01 -0.257599D+01 -0.439716D+00
      2  -0.826752D+00 -0.223003D+01 -0.257599D+01  0.416621D+00  0.786686D+00
      3  -0.223003D+01  0.580118D+01 -0.439716D+00  0.786686D+00 -0.102989D+00
                31            32            33            34            35 
      1  -0.143244D+00  0.208586D+01  0.111227D+01 -0.107223D+00  0.135487D+01
      2   0.208586D+01  0.583898D+01  0.170053D+01  0.135487D+01  0.222924D+01
      3   0.111227D+01  0.170053D+01  0.919998D+00  0.423635D+00  0.790636D+00
                36            37            38            39            40 
      1   0.423635D+00 -0.813103D+01  0.152112D+01  0.157277D+01 -0.232369D+01
      2   0.790636D+00  0.152112D+01 -0.213889D+01 -0.652148D+00 -0.389848D+01
      3  -0.183946D-01  0.157277D+01 -0.652148D+00 -0.115713D+01 -0.223950D+00
                41            42            43            44            45 
      1  -0.389848D+01 -0.223950D+00  0.143015D+01 -0.889315D+00 -0.207846D+01
      2  -0.188520D+01 -0.331801D+00 -0.889315D+00 -0.751284D+00  0.649637D+00
      3  -0.331801D+00 -0.981337D-01 -0.207846D+01  0.649637D+00  0.193508D+01
                46            47            48            49            50 
      1   0.219723D+00  0.497757D+01 -0.323192D+01  0.491136D+01 -0.215337D+01
      2   0.497757D+01 -0.236328D+01 -0.707181D+00 -0.215337D+01 -0.155600D+00
      3  -0.323192D+01 -0.707181D+00  0.403988D+00 -0.784997D+00 -0.310618D+01
                51            52            53            54            55 
      1  -0.784997D+00 -0.227905D+01 -0.817417D+00  0.287621D+00 -0.986416D+00
      2  -0.310618D+01 -0.817417D+00 -0.243224D+01 -0.311954D+01 -0.132835D+01
      3  -0.240763D+01  0.287621D+00 -0.311954D+01  0.224283D+01 -0.184087D+00
                56            57            58            59            60 
      1  -0.132835D+01 -0.184087D+00 -0.124790D+01 -0.311845D+01  0.239341D+00
      2  -0.331462D+01  0.265644D+00 -0.311845D+01  0.163192D+01  0.195696D+01
      3   0.265644D+00 -0.212808D+01  0.239341D+00  0.195696D+01  0.533731D-01
                61            62            63            64            65 
      1   0.180151D-01  0.480021D+00 -0.236307D+01 -0.160734D+01 -0.270437D+01
      2   0.480021D+00  0.223372D+01  0.249207D+00 -0.270437D+01 -0.197352D+01
      3  -0.236307D+01  0.249207D+00 -0.238488D+01 -0.100316D+01 -0.925872D+00
                66            67            68            69            70 
      1  -0.100316D+01 -0.440950D+01 -0.257273D+01 -0.734504D+00 -0.157370D+01
      2  -0.925872D+00 -0.257273D+01 -0.119911D+02 -0.233700D+01 -0.777137D+00
      3  -0.553213D+00 -0.734504D+00 -0.233700D+01 -0.274429D+01 -0.119530D+01
                71            72            73            74            75 
      1  -0.777137D+00 -0.119530D+01  0.351417D+00 -0.241796D+00 -0.110246D+01
      2  -0.193115D+01 -0.327794D+01 -0.241796D+00  0.115957D+00  0.584007D-01
      3  -0.327794D+01 -0.260214D+01 -0.110246D+01  0.584007D-01 -0.272662D-01
                76            77            78            79            80 
      1  -0.588667D+00 -0.588048D-01  0.181534D+00 -0.187642D+01 -0.672383D-01
      2  -0.588048D-01  0.148639D+01 -0.127884D+01 -0.672383D-01 -0.171773D+01
      3   0.181534D+00 -0.127884D+01  0.129727D+01 -0.228949D+00  0.187487D+01
                81            82            83            84            85 
      1  -0.228949D+00 -0.134941D+01 -0.425362D+00 -0.110798D+01 -0.104625D+01
      2   0.187487D+01 -0.425362D+00 -0.257773D+00 -0.872863D-01 -0.408314D+00
      3  -0.808278D+01 -0.110798D+01 -0.872863D-01 -0.222465D+00 -0.206045D+00
                86            87            88            89            90 
      1  -0.408314D+00 -0.206045D+00 -0.170626D+01 -0.226491D+00 -0.233214D-01
      2  -0.578635D+01 -0.236256D+01 -0.226491D+00 -0.240553D+01 -0.235202D+01
      3  -0.236256D+01 -0.269409D+01 -0.233214D-01 -0.235202D+01 -0.222976D+01
                91            92            93            94            95 
      1   0.115182D+01  0.202509D+01  0.827343D-01  0.505367D+01  0.439084D+00
      2   0.202509D+01  0.634344D+00  0.232937D+00  0.439084D+00  0.460679D+01
      3   0.827343D-01  0.232937D+00 -0.247740D+00 -0.437957D+00  0.106241D+01
                96            97            98            99           100 
      1  -0.437957D+00  0.799577D+00 -0.367573D-01 -0.793083D+00  0.538884D+00
      2   0.106241D+01 -0.367573D-01  0.940176D+00  0.714445D+00  0.434435D+00
      3   0.117334D+01 -0.793083D+00  0.714445D+00  0.925519D+00  0.113623D+01
               101           102           103           104           105 
      1   0.434435D+00  0.113623D+01  0.250457D+00  0.623575D+00  0.620786D-01
      2   0.113676D+01  0.338405D+00  0.623575D+00  0.309556D+00  0.827520D+00
      3   0.338405D+00  0.170139D+01  0.620786D-01  0.827520D+00  0.140441D+00
               106           107           108           109           110 
      1   0.226780D+01 -0.381650D-01  0.185620D+01  0.118017D+01  0.184653D+01
      2  -0.381650D-01  0.220891D+01  0.894316D+00  0.184653D+01  0.307968D+01
      3   0.185620D+01  0.894316D+00  0.502733D+01 -0.319800D+00 -0.500803D+00
               111           112           113           114           115 
      1  -0.319800D+00  0.255650D+01  0.262016D+01 -0.555085D+00 -0.119141D+01
      2  -0.500803D+00  0.262016D+01  0.656187D+01 -0.124526D+01 -0.102004D+01
      3   0.627784D+00 -0.555085D+00 -0.124526D+01  0.129008D+01  0.698610D+00
               116           117           118           119           120 
      1  -0.102004D+01  0.698610D+00 -0.473916D+01 -0.204824D+01  0.182605D+01
      2  -0.290317D+01  0.152171D+01 -0.204824D+01 -0.171873D+01  0.136027D+01
      3   0.152171D+01 -0.116559D+01  0.182605D+01  0.136027D+01 -0.270027D+01
               121           122           123           124           125 
      1  -0.220770D+01 -0.112045D+01  0.810511D+00  0.132918D+01  0.823601D+00
      2  -0.112045D+01 -0.213373D+01  0.156822D+01  0.823601D+00  0.113768D+01
      3   0.810511D+00  0.156822D+01 -0.120361D+01 -0.145432D+01 -0.766600D+00
               126           127           128           129           130 
      1  -0.145432D+01  0.470821D+01 -0.333742D+01  0.182405D+01 -0.319080D+01
      2  -0.766600D+00 -0.333742D+01  0.320363D+01 -0.116226D+01  0.286472D+01
      3   0.171461D+01  0.182405D+01 -0.116226D+01  0.175379D+01 -0.950920D+00
               131           132           133           134           135 
      1   0.286472D+01 -0.950920D+00  0.794935D+00 -0.548870D+00  0.106236D+01
      2  -0.410836D+01  0.179128D+01 -0.548870D+00  0.984182D+00 -0.752582D+00
      3   0.179128D+01 -0.124221D+01  0.106236D+01 -0.752582D+00  0.752295D+00
               136           137           138           139           140 
      1   0.811024D+00  0.211120D+00  0.120875D+01  0.890215D+00  0.495775D+00
      2   0.211120D+00  0.808011D+00  0.444545D+00  0.495775D+00  0.334480D+01
      3   0.120875D+01  0.444545D+00  0.991001D+00  0.793460D+00  0.191017D+01
               141           142           143           144           145 
      1   0.793460D+00  0.107780D+01  0.302671D+00  0.724818D+00  0.182093D+00
      2   0.191017D+01  0.302671D+00  0.196554D+01  0.188854D+01 -0.879603D-01
      3   0.348897D+01  0.724818D+00  0.188854D+01  0.396830D+01 -0.839728D+00
               146           147           148           149           150 
      1  -0.879603D-01 -0.839728D+00 -0.434460D-01  0.664897D+00 -0.264916D+00
      2   0.105027D+00  0.119025D+00  0.664897D+00  0.106716D+01 -0.122134D+01
      3   0.119025D+00 -0.510301D-01 -0.264916D+00 -0.122134D+01  0.171902D+01
               151           152           153           154           155 
      1  -0.201234D+01 -0.325514D+00  0.173742D+01  0.140908D+01  0.963268D+00
      2  -0.325514D+00 -0.144723D+01  0.200947D+01  0.963268D+00  0.136717D+01
      3   0.173742D+01  0.200947D+01 -0.906501D+01  0.717840D+00  0.436014D+00
               156           157           158           159           160 
      1   0.717840D+00  0.235598D+01  0.208392D+01  0.273485D+00  0.196998D+01
      2   0.436014D+00  0.208392D+01  0.512808D+01  0.145604D+01  0.816279D+00
      3   0.325555D+00  0.273485D+00  0.145604D+01  0.176878D+01  0.609666D+00
               161           162           163           164           165 
      1   0.816279D+00  0.609666D+00  0.786522D+01 -0.298467D+01 -0.308326D-01
      2   0.218427D+01  0.155108D+01 -0.298467D+01  0.219177D+01  0.445419D-01
      3   0.155108D+01  0.986977D+00 -0.308326D-01  0.445419D-01  0.939937D+00
               166           167           168           169           170 
      1  -0.484682D+01  0.273004D+01  0.319561D+00  0.120408D+01 -0.100602D+00
      2   0.273004D+01 -0.238048D+01  0.288150D+00 -0.100602D+00  0.494336D+00
      3   0.319561D+00  0.288150D+00 -0.746669D+00  0.102503D+01 -0.278903D+00
               171 
      1   0.102503D+01
      2  -0.278903D+00
      3  -0.421131D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.281072D+01  0.240075D+01  0.100436D+01  0.294103D+01  0.217687D+01
      2  -0.781093D+01  0.820118D+00  0.111238D+01  0.178314D+01 -0.870853D+01
      3  -0.114781D+02  0.621327D+01  0.291649D+01  0.132061D+02  0.742230D+01
                 6             7             8             9            10 
      1   0.422182D+00  0.194911D+01  0.433168D+01  0.327375D-01  0.338886D+01
      2  -0.883156D+01 -0.665617D+01 -0.968119D+01  0.183280D+02  0.783663D+01
      3   0.548659D+01  0.807827D+00  0.650933D+01  0.850561D+01  0.385944D+01
                11            12            13            14            15 
      1  -0.627227D+00 -0.684315D-01 -0.457046D+00  0.332581D+01 -0.253946D+01
      2  -0.978654D+00  0.400200D+01 -0.195924D+01  0.432083D+01  0.382760D+01
      3  -0.285824D+01 -0.167690D+01  0.372128D+01 -0.652291D+01 -0.525223D+01
                16            17            18            19            20 
      1   0.783137D-01  0.414179D+01 -0.253492D+01 -0.345002D+01  0.105275D+01
      2  -0.361229D+01  0.432458D+01 -0.347260D+01 -0.177960D+01  0.102569D+01
      3  -0.235100D+01 -0.427462D+01 -0.441934D+01  0.179995D+01 -0.439427D+01
                21            22            23            24            25 
      1  -0.114033D+01  0.529894D+00  0.118631D+01  0.110296D+01 -0.167523D+01
      2   0.101879D+01  0.520780D+01 -0.226251D+01  0.254790D+01 -0.344412D+01
      3   0.757536D+00  0.984952D+00 -0.299834D+01  0.147448D+01 -0.118509D+01
                26            27            28            29            30 
      1   0.556328D+01  0.540566D+00  0.130619D+01  0.100228D+01  0.419564D+00
      2   0.112014D+01 -0.240625D+01 -0.492488D+01  0.609639D+00 -0.484863D+01
      3   0.117318D+01  0.730334D+00 -0.801435D+01  0.391607D+00 -0.114044D+01
                31            32            33            34            35 
      1   0.273613D+01 -0.569553D+01  0.718235D+01  0.123015D+01  0.671102D+01
      2   0.641762D+01  0.253529D+00 -0.255062D+01 -0.178270D+02 -0.259637D+01
      3   0.336732D+00  0.128145D+02  0.142662D+00 -0.273960D+01 -0.614842D-01
                36            37            38            39            40 
      1   0.530113D+01 -0.160916D+01 -0.261520D+01  0.229698D+01 -0.190581D+01
      2   0.353754D+01  0.572025D+00  0.257667D+01  0.893851D+01  0.197453D+01
      3   0.955345D+00 -0.359107D+01 -0.152162D+02 -0.148046D+01 -0.122299D+02
                41            42            43            44            45 
      1  -0.209443D+01 -0.388175D+01  0.146103D+00  0.218762D+01 -0.149129D+01
      2   0.230720D+01  0.106090D+01  0.667092D+01  0.314633D+00 -0.539500D+01
      3  -0.127346D+02 -0.171678D+01 -0.588931D+00 -0.458942D+00  0.866946D+00
                46            47            48            49            50 
      1   0.490351D+01 -0.488674D+01 -0.623826D+00 -0.418136D+01 -0.362658D+01
      2  -0.570418D+01 -0.101024D+02  0.999922D+01 -0.833003D+01 -0.128044D+01
      3  -0.814848D+01 -0.435063D+01  0.521772D+01 -0.809196D+00  0.351615D+01
                51            52            53            54            55 
      1  -0.123776D+02 -0.121220D+01 -0.716701D+01 -0.210629D+01  0.846252D+00
      2  -0.283681D+01  0.264982D+01 -0.312714D+01  0.157229D+01  0.630314D+00
      3   0.534182D+01  0.402834D+01  0.505071D+01  0.398388D+01 -0.339445D+01
                56            57            58            59            60 
      1  -0.363307D+01  0.652157D+01 -0.385237D+01 -0.762155D+01 -0.458346D+01
      2   0.189753D+01  0.626922D+01 -0.530855D+00  0.405136D+00 -0.149125D+01
      3  -0.109318D+02 -0.199251D+01  0.133891D+01 -0.389172D+01  0.195225D+01
                61            62            63            64            65 
      1   0.702153D+01  0.462132D+01  0.536487D+01  0.235873D+00  0.109103D+01
      2  -0.176329D+01 -0.117040D+01  0.216353D+01  0.125841D+01  0.398634D+00
      3   0.506177D+00  0.404133D+01 -0.592290D+01 -0.963538D+00 -0.509427D+01
                66            67            68            69            70 
      1  -0.252817D+01  0.158890D+00  0.521331D+01 -0.104465D+02 -0.527350D+00
      2   0.508694D+01 -0.666407D+01  0.139280D+01  0.528991D+01  0.102070D+01
      3  -0.711562D+00  0.952489D+01 -0.201281D+02 -0.227519D+01  0.146333D+01
                71            72            73            74            75 
      1   0.208325D+01 -0.226617D+01  0.656580D+00 -0.502276D+00  0.873425D-01
      2   0.561414D+01  0.306073D+01  0.122798D+01 -0.126903D+00  0.506691D-01
      3  -0.229792D+01 -0.554294D+01  0.565604D+00 -0.334202D+00 -0.567914D+00
                76            77            78            79            80 
      1  -0.289327D+00 -0.183403D+01 -0.668828D+00  0.307202D+00  0.262547D+01
      2  -0.320958D+00  0.455870D+00 -0.313114D+00 -0.367198D+01  0.109967D-01
      3   0.147858D+01  0.398693D+00 -0.271239D+00 -0.971432D+00 -0.546065D+00
                81            82            83            84            85 
      1   0.203856D+01 -0.955109D+00  0.108904D+00 -0.239382D+00 -0.155797D+00
      2   0.907699D+00 -0.298188D+01 -0.273707D+00 -0.221898D+00 -0.174670D+01
      3  -0.172592D-01  0.299110D+01  0.609741D+00  0.120847D+01  0.479814D+01
                86            87            88            89            90 
      1   0.989229D+00 -0.321067D+01  0.448625D-01  0.603401D+00 -0.101257D+01
      2  -0.277901D+01 -0.317054D+01 -0.291579D+01 -0.265944D+01 -0.244141D+01
      3   0.784027D+01  0.351693D+01  0.265765D+01  0.340218D+01  0.316476D+01
                91            92            93            94            95 
      1   0.135729D+01  0.169635D+01  0.133627D+01  0.194302D+01  0.248218D+01
      2  -0.245812D+01 -0.219582D+01 -0.167338D+01 -0.255424D+01 -0.449685D+01
      3   0.617625D+01  0.879422D+01  0.893601D+00  0.131074D+02  0.179792D+02
                96            97            98            99           100 
      1  -0.449551D+00  0.141095D+01  0.166667D+01 -0.253177D+00 -0.321220D+01
      2  -0.378062D+01 -0.218476D+01 -0.257964D+01 -0.132517D+01 -0.192342D+01
      3   0.322892D+01  0.152050D+01  0.258408D+01  0.398493D+00  0.224149D+01
               101           102           103           104           105 
      1   0.123626D+01 -0.532540D+01  0.110727D+01 -0.239496D+01  0.369179D+00
      2   0.578985D-03 -0.102461D+01  0.305985D+00 -0.110545D+01  0.740520D+00
      3  -0.102961D+00  0.280529D+01  0.519446D+00  0.131842D+01 -0.314453D-02
               106           107           108           109           110 
      1  -0.605204D+01  0.140811D+01 -0.117421D+02  0.128975D+01  0.261192D+01
      2  -0.412860D+01  0.615009D+00 -0.232628D+01  0.392185D+00 -0.336585D+00
      3   0.589188D+01 -0.625378D+00  0.512232D+01  0.431186D+01  0.368120D+01
               111           112           113           114           115 
      1  -0.264829D+01  0.309051D+01  0.511795D+01 -0.427555D+01 -0.261935D+01
      2   0.202639D+00 -0.298324D+00 -0.320991D+00  0.562171D+00 -0.981608D+00
      3  -0.102408D+01  0.850590D+01  0.658746D+01 -0.200568D+01 -0.418956D+01
               116           117           118           119           120 
      1  -0.355392D+01  0.302336D+01 -0.171959D+01 -0.222580D+01 -0.172018D+01
      2   0.174881D+00 -0.221293D+00  0.120446D+02  0.472725D+01 -0.374649D+01
      3  -0.320149D+01  0.210364D+01  0.980790D+01  0.293457D+01 -0.317376D+01
               121           122           123           124           125 
      1  -0.132842D+01 -0.148749D+01  0.975281D-02 -0.485023D+00  0.218401D+01
      2   0.513412D+01  0.341408D+01 -0.190486D+01 -0.524929D+01 -0.216533D+01
      3   0.562647D+01  0.305969D+01 -0.260205D+01 -0.253771D+01 -0.156655D+01
               126           127           128           129           130 
      1   0.694691D+00 -0.313493D+01  0.437400D+01  0.155824D+01  0.328475D+01
      2   0.347979D+01 -0.482343D+01  0.316647D+01  0.221998D+01  0.430904D+01
      3   0.267955D+01 -0.126262D+01 -0.278112D+01  0.208256D-01  0.155577D+01
               131           132           133           134           135 
      1  -0.401727D+01 -0.570494D+00  0.135144D+00  0.188257D+01 -0.204439D+00
      2  -0.168723D+01 -0.124692D+01 -0.132450D+01  0.183129D+00 -0.210453D+00
      3   0.334792D+01 -0.157583D+01 -0.621302D+00 -0.111010D+01 -0.222706D+00
               136           137           138           139           140 
      1   0.163819D+01  0.193834D+01  0.142799D+01  0.927395D+00  0.110929D+02
      2   0.428832D+00  0.205188D+00  0.526548D+00 -0.164131D+01  0.258932D+01
      3  -0.439839D+00 -0.208999D+01 -0.162361D+01  0.653065D+00 -0.699167D+01
               141           142           143           144           145 
      1   0.492642D+01  0.131744D+01  0.802670D+01  0.655418D+01  0.172338D+00
      2   0.414165D+01 -0.227553D+01  0.203814D+01  0.435029D+01 -0.255115D+01
      3  -0.319970D+01 -0.794955D+00 -0.345661D+01 -0.340175D+01  0.263274D+00
               146           147           148           149           150 
      1   0.396998D-01 -0.102323D+00 -0.318212D+00 -0.134290D+01 -0.435183D+00
      2  -0.621940D-01  0.250358D+00 -0.671541D-02 -0.220515D+01  0.467819D+01
      3  -0.938229D+00 -0.286130D+00 -0.449988D+00 -0.289307D+01  0.280172D+01
               151           152           153           154           155 
      1  -0.875453D-01  0.356929D+01  0.810462D+00 -0.105875D+01 -0.133556D+01
      2  -0.909263D+00  0.510725D+01 -0.224642D+02  0.330060D+01  0.193272D+01
      3  -0.266330D+00  0.409218D+01 -0.526348D+01 -0.307221D+01 -0.435367D+01
               156           157           158           159           160 
      1  -0.996675D+00 -0.141952D+01 -0.404891D+01 -0.407130D+01 -0.901273D+00
      2   0.215185D+01  0.169313D+01  0.652821D+01  0.634706D+01  0.910996D+00
      3  -0.898202D+00 -0.223913D+01 -0.159378D+02 -0.492915D+01 -0.637437D+00
               161           162           163           164           165 
      1  -0.950633D+00 -0.227210D+01  0.215564D+01 -0.172640D+01  0.740675D+00
      2   0.509795D+01  0.392678D+01  0.624213D+01 -0.256422D+01  0.488694D+01
      3  -0.732772D+01 -0.445488D+01  0.827902D+01 -0.932266D+01  0.362967D-01
               166           167           168           169           170 
      1  -0.178714D+01  0.185904D+01 -0.170362D+01 -0.120260D-01  0.208992D+00
      2  -0.277292D+01  0.317917D+01 -0.306961D+01  0.250489D+01 -0.686490D+00
      3  -0.644253D+01  0.787871D+01 -0.113966D+01  0.764988D-02 -0.192610D+01
               171 
      1   0.241836D+00
      2  -0.387414D-01
      3   0.734369D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.113857D+02  0.240679D+02 -0.112191D+02  0.287008D+02 -0.162581D+02
      2   0.284296D+01 -0.133514D+02  0.516275D+01 -0.157195D+02  0.253089D+01
      3   0.854271D+01 -0.107165D+02  0.605636D+01 -0.129814D+02  0.137272D+02
      4   0.263604D+02 -0.141572D+02 -0.496988D+01 -0.208835D+02 -0.110669D+02
      5  -0.982509D+01 -0.792124D+01  0.404386D+01 -0.941433D+01 -0.949997D+01
      6  -0.459278D+01  0.188320D+01  0.128593D+00  0.169273D+01 -0.868034D+00
                 6             7             8             9            10 
      1  -0.813366D+01 -0.143290D+02 -0.579557D+01  0.112923D+02 -0.558072D+01
      2  -0.290056D+01  0.382234D+01 -0.479010D+01  0.774932D+01  0.126548D+01
      3   0.110342D+02  0.105067D+02  0.105857D+02 -0.190416D+02  0.431524D+01
      4  -0.111047D+02 -0.403227D+01 -0.128878D+02 -0.128258D+02 -0.114268D+02
      5  -0.130053D+02 -0.112320D+00 -0.137315D+02  0.272952D+02  0.106271D+02
      6  -0.580975D+00 -0.104718D+01 -0.505588D+00  0.583106D+01 -0.485334D+01
                11            12            13            14            15 
      1  -0.986657D+01  0.964057D+01 -0.135822D+02  0.105345D+02  0.693129D+01
      2   0.456174D+01 -0.670400D+01  0.714833D+01 -0.885528D+01 -0.101003D+02
      3   0.530484D+01 -0.293657D+01  0.643389D+01 -0.167922D+01  0.316905D+01
      4   0.477302D+01  0.161167D+01  0.102671D+02  0.586947D+01  0.559769D+01
      5   0.326994D+01 -0.790742D+00  0.631173D+01  0.624406D+01  0.746500D+01
      6   0.106956D+01 -0.862084D+00  0.902392D+00 -0.105538D+02 -0.357637D+01
                16            17            18            19            20 
      1   0.128496D+02  0.571553D+01  0.445091D+01 -0.700858D+01 -0.124083D+01
      2  -0.626263D+01 -0.421773D+01 -0.538907D+01  0.931001D+01  0.141860D+01
      3  -0.658698D+01 -0.149780D+01  0.938161D+00 -0.230144D+01 -0.177769D+00
      4   0.428898D+01  0.552362D+01  0.866783D+01 -0.598500D+00  0.368825D+01
      5  -0.314742D-01  0.859561D+01 -0.944775D+01 -0.240583D+01 -0.831521D-01
      6   0.633701D+00 -0.566177D+01  0.424062D+00  0.358279D+01 -0.230700D+01
                21            22            23            24            25 
      1  -0.287038D+00  0.719081D+01  0.335579D+01 -0.175110D+01 -0.468089D+01
      2   0.216800D+01 -0.293398D+01 -0.538458D+01 -0.283704D+01  0.308616D+01
      3  -0.188096D+01 -0.425683D+01  0.202879D+01  0.458813D+01  0.159474D+01
      4   0.112670D+01 -0.719764D+01  0.582908D+01  0.819519D+00 -0.426802D+01
      5   0.442460D+00 -0.261872D+01  0.316746D+00  0.313032D+01 -0.983786D+00
      6   0.104569D+01 -0.986328D+00  0.114635D+01 -0.536859D+01 -0.909414D+00
                26            27            28            29            30 
      1  -0.177424D+01  0.101591D+02 -0.721046D+01  0.123693D+02  0.271154D+01
      2  -0.805419D+01  0.835364D+01  0.853357D+00 -0.950566D+01 -0.649548D+01
      3   0.982843D+01 -0.185127D+02  0.635710D+01 -0.286366D+01  0.378393D+01
      4   0.628203D+00  0.157040D-01  0.736649D+01 -0.912452D+01 -0.348755D+01
      5  -0.148292D+01  0.892684D+00  0.395127D+01 -0.369230D+01 -0.779228D+01
      6  -0.305980D+01  0.947139D+01 -0.162642D+01 -0.223125D+01 -0.937071D+00
                31            32            33            34            35 
      1   0.128201D+01  0.729516D+01  0.301303D+01  0.381695D+01 -0.183840D+01
      2  -0.410190D+01 -0.169912D+02  0.485733D+01 -0.460120D+01 -0.216664D+01
      3   0.281989D+01  0.969606D+01 -0.787036D+01  0.784252D+00  0.400504D+01
      4  -0.200324D+02 -0.241581D+02 -0.571838D+01 -0.103817D+02 -0.251232D+01
      5  -0.100895D+02 -0.771931D+01 -0.528662D+01 -0.588195D+00 -0.377193D+01
      6  -0.360909D+01 -0.899200D+01 -0.112597D+02 -0.310874D+01  0.148038D+01
                36            37            38            39            40 
      1  -0.438485D+01  0.505768D+02 -0.766509D+01 -0.556678D+01  0.737418D+01
      2  -0.279632D+01 -0.300542D+02  0.134394D+01  0.662868D+01 -0.824209D+01
      3   0.718117D+01 -0.205227D+02  0.632115D+01 -0.106190D+01  0.867917D+00
      4  -0.454132D+01 -0.178213D+02  0.167939D+02  0.283336D+01  0.170597D+02
      5   0.422873D+01 -0.974149D+01  0.200490D+01  0.163697D+02  0.277280D+00
      6  -0.723458D+01 -0.675656D+00 -0.504173D+00 -0.304617D+01 -0.171005D+01
                41            42            43            44            45 
      1   0.122401D+02 -0.284908D+00 -0.330925D+01  0.305581D+01  0.643074D+01
      2  -0.542845D+01 -0.166005D+01  0.307858D+01 -0.203178D+01 -0.102363D+02
      3  -0.681168D+01  0.194496D+01  0.230675D+00 -0.102403D+01  0.380551D+01
      4  -0.658732D-01 -0.526730D+00  0.455637D+01 -0.820713D+00 -0.354591D+01
      5  -0.279559D+00 -0.614013D+00  0.156603D+02 -0.385283D+01 -0.119359D+02
      6  -0.102354D+01  0.644211D+01 -0.123074D+01  0.471470D+01  0.179987D+01
                46            47            48            49            50 
      1   0.793946D+01  0.146024D+02 -0.100202D+02  0.136452D+02 -0.292851D+01
      2  -0.908719D+01 -0.829080D+00  0.579846D+01  0.545619D-01  0.602939D+01
      3   0.114773D+01 -0.137733D+02  0.422178D+01 -0.136998D+02 -0.310088D+01
      4   0.124559D+02 -0.179728D+02  0.615097D+01 -0.184246D+02  0.423683D+01
      5  -0.686369D+01  0.100372D+02 -0.607383D+01  0.851679D+01 -0.132676D+02
      6   0.170651D+02 -0.552436D+01 -0.335144D+01 -0.593067D+01  0.228887D+01
                51            52            53            54            55 
      1   0.320899D+01 -0.824498D+01  0.204892D+01 -0.570397D+01  0.155330D+02
      2   0.127126D+02  0.445821D+01  0.935849D+01  0.204733D+01 -0.121162D+02
      3  -0.159215D+02  0.378677D+01 -0.114074D+02  0.365663D+01 -0.341677D+01
      4  -0.871587D+01  0.350325D+01 -0.585581D+01 -0.914640D+01 -0.217874D+01
      5  -0.101006D+02 -0.689433D+01 -0.105134D+02  0.551396D+01 -0.101129D+01
      6  -0.812533D+01 -0.339267D+01 -0.570390D+01 -0.105160D+02 -0.631478D+00
                56            57            58            59            60 
      1   0.919239D+01  0.342022D+00  0.564323D+01 -0.818906D+01 -0.617453D+01
      2  -0.163436D+02  0.358190D+01 -0.128172D+02  0.953067D+01  0.957559D+01
      3   0.715121D+01 -0.392392D+01  0.717396D+01 -0.134161D+01 -0.340106D+01
      4  -0.309118D+01 -0.130846D+01  0.204427D+01 -0.132121D+02  0.279830D+00
      5   0.256046D+00  0.239232D+01  0.896490D+00 -0.513177D+00 -0.239962D+01
      6   0.169639D+01 -0.875641D+01  0.180710D+01  0.125897D+02  0.546017D+01
                61            62            63            64            65 
      1  -0.247693D+01 -0.694123D+01  0.144297D+01  0.105585D+02  0.529085D+01
      2   0.685923D+01  0.136266D+02  0.329094D+00 -0.238263D+01  0.153432D+01
      3  -0.438230D+01 -0.668540D+01 -0.177207D+01 -0.817590D+01 -0.682517D+01
      4   0.425583D+00  0.122217D+01 -0.808441D+01  0.158966D+02  0.191474D+02
      5   0.294001D+01 -0.161784D+01 -0.387602D+01  0.680859D+01  0.579603D+01
      6  -0.860810D+01  0.870669D+00 -0.512541D+01  0.347996D+01  0.322495D+01
                66            67            68            69            70 
      1   0.114946D+01  0.908166D+01 -0.214993D+02 -0.629647D+01  0.319286D+01
      2  -0.970093D+00  0.152924D+01  0.401028D+02  0.173144D+01 -0.100011D+01
      3  -0.179366D+00 -0.106109D+02 -0.186034D+02  0.456503D+01 -0.219275D+01
      4   0.497326D+01  0.251242D+02  0.456914D+02  0.961464D+01  0.585232D+01
      5   0.954347D+01  0.707800D+01  0.114982D+02  0.114755D+02  0.104665D+02
      6   0.437987D+01  0.572116D+01  0.136110D+02  0.173848D+02  0.535704D+01
                71            72            73            74            75 
      1  -0.458850D+01 -0.588803D+01  0.851001D+00  0.616078D+00 -0.358343D+00
      2   0.259748D+01  0.291634D+00 -0.374788D+01 -0.587553D+00 -0.358966D+00
      3   0.199102D+01  0.559639D+01  0.289688D+01 -0.285245D-01  0.717308D+00
      4   0.688040D+01  0.126199D+02 -0.281564D+00  0.166505D+01 -0.188747D+01
      5   0.129304D+02  0.103713D+02  0.212903D+00 -0.130754D+01  0.544046D+01
      6   0.143025D+02  0.977306D+01 -0.212938D+01  0.875697D+00 -0.236368D-01
                76            77            78            79            80 
      1   0.230651D+00 -0.536673D+01  0.352922D+01  0.685951D+00  0.562710D+01
      2   0.295360D+00  0.174231D+01 -0.737366D+00  0.326673D+00  0.543585D+00
      3  -0.526010D+00  0.362442D+01 -0.279185D+01 -0.101262D+01 -0.617069D+01
      4   0.260735D+01 -0.100818D+01  0.462836D+00 -0.428649D+00  0.931842D+00
      5  -0.434765D+00  0.186315D-01 -0.468958D+00  0.530390D+01  0.204639D+00
      6   0.919408D+00 -0.423782D+01  0.860262D+01  0.344540D+00  0.771547D+01
                81            82            83            84            85 
      1  -0.189580D+02 -0.479671D+00 -0.131545D+01 -0.291874D+01 -0.302893D+01
      2  -0.131998D+02  0.242313D+01  0.115680D+01  0.213540D+01  0.233760D+01
      3   0.321578D+02 -0.194346D+01  0.158648D+00  0.783337D+00  0.691324D+00
      4  -0.484843D+00 -0.108492D+00  0.288245D+01  0.126517D+01  0.242938D+01
      5   0.104778D+01 -0.199589D+01  0.122845D+01  0.178522D+01  0.107861D+01
      6  -0.138444D+02  0.293158D+01  0.638260D+00  0.729923D+00  0.566221D+00
                86            87            88            89            90 
      1  -0.137645D+02 -0.520173D+01 -0.431140D+01 -0.638164D+01 -0.741872D+01
      2   0.181869D+02  0.702845D+01  0.238727D+01  0.452466D+01  0.247850D+01
      3  -0.442235D+01 -0.182672D+01  0.192413D+01  0.185698D+01  0.494022D+01
      4  -0.116709D+02 -0.474737D+01 -0.504104D-01 -0.510857D+01 -0.444307D+01
      5  -0.472311D+01 -0.640836D+01  0.261766D+01 -0.474309D+01 -0.408923D+01
      6   0.124253D+02  0.100094D+02  0.888732D+00  0.104678D+02  0.942163D+01
                91            92            93            94            95 
      1  -0.107775D+02 -0.455367D+01 -0.699875D-01 -0.180913D+02 -0.614196D+01
      2   0.999437D+01  0.166001D+01  0.153066D+00  0.105738D+02  0.907495D+01
      3   0.783076D+00  0.289367D+01 -0.830783D-01  0.751744D+01 -0.293298D+01
      4  -0.472180D+01  0.617236D+00  0.918038D-01  0.735802D+01 -0.169983D+02
      5   0.569887D+00  0.518927D+00 -0.138705D+01  0.310111D+01 -0.335129D+01
      6   0.987500D+00 -0.367893D+00 -0.190956D+01 -0.823112D+00  0.301849D+01
                96            97            98            99           100 
      1   0.833576D-02 -0.196432D+01 -0.143868D+01 -0.634622D+00 -0.963966D+00
      2   0.616276D+00  0.163943D+01  0.117342D+01 -0.460992D+00 -0.643851D-01
      3  -0.624611D+00  0.324895D+00  0.265256D+00  0.109561D+01  0.102835D+01
      4  -0.436975D+01  0.108982D+01 -0.333604D+01 -0.368076D+01  0.186390D+01
      5  -0.567738D+01  0.384189D+01 -0.310970D+01 -0.308261D+01  0.223706D+01
      6   0.206860D+01 -0.197876D+01  0.297369D+01  0.186782D+01  0.354255D+01
               101           102           103           104           105 
      1  -0.269617D+01 -0.165782D+01 -0.230172D+00 -0.199866D+01 -0.151843D+01
      2   0.408093D+01 -0.570178D+00  0.129230D+01  0.177641D+01  0.214113D+01
      3  -0.138475D+01  0.222800D+01 -0.106213D+01  0.222245D+00 -0.622700D+00
      4   0.372174D+01  0.327634D+01  0.300189D+01  0.155290D+01  0.179925D+01
      5   0.947994D+00  0.364577D+01  0.459823D+00  0.192024D+01  0.885315D+00
      6   0.289850D+01  0.642058D+01  0.217844D+01  0.167786D+01  0.351046D+01
               106           107           108           109           110 
      1  -0.164494D+01 -0.490436D+01 -0.809373D+01 -0.236975D+01 -0.735290D+01
      2  -0.229412D+01  0.539968D+01 -0.423669D+01  0.692884D+01  0.149501D+02
      3   0.393907D+01 -0.495321D+00  0.123304D+02 -0.455909D+01 -0.759725D+01
      4   0.579486D+01  0.251372D+01  0.517486D+01  0.518842D+01  0.994418D+01
      5   0.390227D+01  0.720963D+00  0.500165D+01 -0.140068D+01 -0.115618D+01
      6   0.569132D+01  0.631291D+01  0.164780D+02 -0.260072D+01 -0.373960D+01
               111           112           113           114           115 
      1   0.508505D+00 -0.605925D+01 -0.179831D+02  0.354121D+01  0.273136D+01
      2  -0.263578D+01  0.121253D+02  0.336842D+02 -0.707705D+01 -0.465850D+01
      3   0.212727D+01 -0.606606D+01 -0.157011D+02  0.353584D+01  0.192714D+01
      4  -0.190848D+01  0.972889D+01  0.113073D+02 -0.315337D+01 -0.330596D+01
      5   0.199259D+01  0.885705D-02 -0.145567D+01  0.838724D+00  0.183824D+01
      6   0.319024D+01 -0.379904D+01 -0.900981D+01  0.643053D+01  0.412865D+01
               116           117           118           119           120 
      1   0.806567D+01 -0.500322D+01 -0.987248D+01 -0.940996D+01  0.109952D+02
      2  -0.131098D+02  0.617295D+01  0.551354D+01  0.620686D+01 -0.129140D+01
      3   0.504413D+01 -0.116973D+01  0.435894D+01  0.320310D+01 -0.970379D+01
      4  -0.447746D+01  0.342835D+01  0.709406D+01  0.423436D+01 -0.248944D+01
      5   0.163027D+01 -0.101421D+01 -0.942378D+01 -0.402622D+01  0.313233D+01
      6   0.101969D+02 -0.631800D+01 -0.816297D+01 -0.797283D+01  0.869728D+01
               121           122           123           124           125 
      1  -0.818017D+01 -0.891558D+01  0.657045D+01  0.712897D+01  0.532625D+01
      2   0.554628D+01  0.790147D+01 -0.384642D+01 -0.650635D+00 -0.248008D+01
      3   0.263389D+01  0.101412D+01 -0.272403D+01 -0.647834D+01 -0.284617D+01
      4   0.580389D+01  0.848584D+00  0.240874D+00 -0.211355D+01 -0.567023D+00
      5  -0.469078D+01 -0.397896D+00  0.135657D+01  0.523879D+01  0.231635D+01
      6  -0.507840D+01 -0.881249D+01  0.835066D+01  0.598450D+01  0.698777D+01
               126           127           128           129           130 
      1  -0.842462D+01  0.166730D+02 -0.733693D+01  0.218876D+01 -0.706462D+01
      2  -0.649082D+00 -0.403971D+01 -0.282308D+01 -0.308061D+01 -0.308706D+01
      3   0.907370D+01 -0.126333D+02  0.101600D+02  0.891855D+00  0.101517D+02
      4   0.279853D+01 -0.230320D+02  0.204961D+02 -0.802667D+01  0.196060D+02
      5  -0.290595D+01  0.171468D+02 -0.119108D+02  0.119822D+02 -0.109910D+02
      6  -0.632747D+01 -0.110262D+02  0.108272D+02 -0.699375D+01  0.904600D+01
               131           132           133           134           135 
      1  -0.620983D+00  0.145454D+01  0.432160D+00  0.911774D+00  0.436481D+00
      2   0.106575D+02 -0.184282D+01 -0.215139D+01  0.354071D-01 -0.166534D+01
      3  -0.100365D+02  0.388279D+00  0.171923D+01 -0.947181D+00  0.122886D+01
      4  -0.218194D+02  0.789152D+01 -0.375505D+01  0.420543D+01 -0.533856D+01
      5   0.114107D+02 -0.674380D+01  0.856525D+01 -0.516499D+01  0.568415D+01
      6  -0.135306D+02  0.972398D+01 -0.514634D+01  0.749257D+01 -0.439328D+01
               136           137           138           139           140 
      1   0.145440D+01  0.831427D+00  0.250090D+01  0.230535D+01 -0.222430D+01
      2  -0.316259D+01 -0.281292D+01 -0.458668D+01 -0.441676D+01 -0.376601D+01
      3   0.170819D+01  0.198150D+01  0.208578D+01  0.211141D+01  0.599031D+01
      4   0.115448D+01  0.522339D+01  0.793695D+00  0.431082D+01  0.807909D+01
      5   0.607235D+01  0.260672D+01  0.842301D+01  0.569461D+01  0.773201D+01
      6   0.384083D+00  0.299217D+01  0.144872D+01  0.219999D+01  0.114067D+02
               141           142           143           144           145 
      1  -0.521903D+01  0.184283D+01 -0.304078D+01 -0.756319D+01  0.146169D+01
      2  -0.997263D+01 -0.421308D+01 -0.676127D+01 -0.129037D+02 -0.317824D+01
      3   0.151917D+02  0.237025D+01  0.980206D+01  0.204669D+02  0.171655D+01
      4   0.574895D+01  0.310651D+00  0.505613D+01  0.517518D+01 -0.718080D+00
      5   0.121173D+02  0.739161D+01  0.647804D+01  0.132070D+02 -0.405580D+01
      6   0.755864D+01  0.135401D+01  0.880212D+01  0.655967D+01 -0.763411D+00
               146           147           148           149           150 
      1  -0.586591D+00 -0.555359D+01 -0.839119D+00 -0.677202D+00  0.280251D+01
      2   0.331831D+00  0.266440D+01  0.160075D-01 -0.764510D+00  0.167951D+01
      3   0.254760D+00  0.288920D+01  0.823112D+00  0.144171D+01 -0.448202D+01
      4   0.236815D+01 -0.105179D+01  0.520207D+01  0.519284D+01 -0.559317D+01
      5  -0.794956D+00  0.615446D+01 -0.202048D+01 -0.535693D+01  0.884327D+01
      6  -0.785733D-01  0.291111D+00 -0.147497D+01 -0.348751D+01  0.798762D+01
               151           152           153           154           155 
      1  -0.833061D+01  0.298006D+01 -0.129574D+02  0.994591D+01  0.491882D+01
      2   0.840322D+01  0.184039D+01 -0.190596D+02 -0.206899D+01  0.787697D-01
      3  -0.726106D-01 -0.482045D+01  0.320170D+02 -0.787692D+01 -0.499759D+01
      4  -0.282443D+01 -0.681499D+01  0.850134D+01  0.637463D+01  0.118685D+02
      5   0.146810D+02  0.926028D+01 -0.431846D+02  0.333549D+01  0.307548D+01
      6   0.998420D+00  0.743903D+01 -0.813328D+01  0.119126D+01 -0.411439D+00
               156           157           158           159           160 
      1   0.405463D+01  0.105319D+02  0.548148D+01  0.156115D+01  0.104552D+02
      2  -0.104669D+01 -0.201689D+01  0.947120D+01  0.354852D+01 -0.425841D+01
      3  -0.300793D+01 -0.851499D+01 -0.149527D+02 -0.510967D+01 -0.619676D+01
      4   0.399625D+01  0.167688D+02  0.292818D+02  0.812104D+01  0.676977D+01
      5   0.299945D+01  0.181991D+01  0.782564D+01  0.102426D+02  0.442168D+01
      6   0.519817D+00 -0.256982D+00  0.548540D+00  0.348754D+01  0.158185D+01
               161           162           163           164           165 
      1   0.293915D+01 -0.370474D-01  0.558170D+02 -0.196859D+02  0.829856D+00
      2   0.278898D+01 -0.179496D+00 -0.268107D+02  0.883982D+01  0.812321D+00
      3  -0.572813D+01  0.216544D+00 -0.290062D+02  0.108461D+02 -0.164218D+01
      4   0.122091D+02  0.832604D+01 -0.227334D+02  0.172087D+02  0.449426D+00
      5   0.869979D+01  0.616302D+01 -0.628558D+01  0.258960D+01  0.809837D+01
      6   0.334936D+01  0.224666D+01  0.389753D+01 -0.296883D+01 -0.971694D+00
               166           167           168           169           170 
      1  -0.289996D+02  0.141365D+02  0.999855D+00  0.752162D+01 -0.926126D+00
      2   0.125956D+02 -0.244956D+01 -0.997964D+00 -0.260592D+01  0.763572D+00
      3   0.164040D+02 -0.116870D+02 -0.189089D-02 -0.491570D+01  0.162555D+00
      4   0.215973D+02 -0.177554D+02  0.130550D+01 -0.143159D+01  0.321011D+01
      5   0.501637D+01 -0.401731D+00 -0.564984D+01  0.811254D+01 -0.271377D+01
      6  -0.341245D+01  0.324174D+01  0.229563D+01 -0.140651D+01  0.211187D+01
               171 
      1   0.392036D+01
      2  -0.358052D+01
      3  -0.339847D+00
      4  -0.261661D+01
      5  -0.191692D+01
      6  -0.541779D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.154786D+01      0.393428D+01      0.131233D+02
   y          0.136513D+01      0.346982D+01      0.115741D+02
   z          0.164283D+00      0.417565D+00      0.139285D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.807011D+02      0.119587D+02      0.133058D+02
   yx        -0.457665D-02     -0.678190D-03     -0.754588D-03
   yy         0.752912D+02      0.111570D+02      0.124138D+02
   zx        -0.185131D+01     -0.274336D+00     -0.305240D+00
   zy         0.127550D+01      0.189009D+00      0.210301D+00
   zz         0.661928D+02      0.980876D+01      0.109137D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.790200D+02      0.117096D+02      0.130286D+02
   aniso      0.146195D+02      0.216639D+01      0.241043D+01
   xx         0.863715D+02      0.127989D+02      0.142407D+02
   yx         0.134313D+00      0.199031D-01      0.221452D-01
   yy         0.802868D+02      0.118973D+02      0.132375D+02
   zx        -0.204767D+01     -0.303433D+00     -0.337615D+00
   zy         0.143893D+01      0.213227D+00      0.237247D+00
   zz         0.704017D+02      0.104325D+02      0.116077D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.03710086         -1.09842908          3.53932826
     6          1.71661404         -1.29760070          0.98095161
     6          0.22880301          1.12916899          0.37949233
     6         -0.66596329          1.14697422         -2.39244329
     8         -2.98841012          2.08991917         -2.71344322
     6          0.05751645         -3.65876329          0.82536092
     7         -1.91474647          1.69486481          2.05255782
     8          0.62535381          0.43068347         -4.11637230
     1          1.53851496          2.72335584          0.50867969
     1          3.14909156         -1.43991957         -0.49640871
     1         -3.57907889          2.50532414         -0.99789162
     1         -2.71854940          0.09691596          2.73392447
     1         -1.40008244          2.77425213          3.54056080
     1         -0.85478408         -3.82277760         -1.01540975
     1          1.19735469         -5.35165741          1.11392006
     1         -1.40774856         -3.67449984          2.28451712
     1          4.27801417          0.54925867          3.62055300
     1          1.67381743         -0.94532920          5.08403066
     1          4.18668751         -2.77189868          3.89800763

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.207038D+01      0.526237D+01      0.175534D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.736711D+02      0.109169D+02      0.121467D+02
   yx        -0.590766D+01     -0.875425D+00     -0.974041D+00
   yy         0.703470D+02      0.104243D+02      0.115987D+02
   zx         0.277889D+01      0.411789D+00      0.458177D+00
   zy        -0.886233D+00     -0.131326D+00     -0.146120D+00
   zz         0.781671D+02      0.115832D+02      0.128880D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.790200D+02      0.117096D+02      0.130286D+02
   aniso      0.146195D+02      0.216639D+01      0.241043D+01
   xx         0.785758D+02      0.116437D+02      0.129554D+02
   yx        -0.640344D+01     -0.948891D+00     -0.105578D+01
   yy         0.748186D+02      0.110870D+02      0.123359D+02
   zx         0.308131D+01      0.456603D+00      0.508040D+00
   zy        -0.101473D+01     -0.150368D+00     -0.167306D+00
   zz         0.836656D+02      0.123980D+02      0.137946D+02

 ----------------------------------------------------------------------
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 MAN IS THE MEASURE OF ALL THINGS.
  -- PROTAGORAS (5TH CENTURY B.C.)
 Job cpu time:       0 days  0 hours 55 minutes 47.5 seconds.
 Elapsed time:       0 days  0 hours  7 minutes  0.2 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:41:12 2021.
